1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitro-guanidine; (5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-phenylazanyl-imidazol-4-one

Systemtic Name: 1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitro-guanidine; (5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-phenylazanyl-imidazol-4-one Openeye Name: (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenyl-imidazol-4-one; 1-[(2-chlorothiazol-5-yl)methyl]-2-methyl-3-nitro-guanidine CAS Name: (5S)-3-anilino-5-methyl-2-(methylthio)-5-phenyl-4-imidazolone; 1-[(2-chloro-5-thiazolyl)methyl]-2-methyl-3-nitroguanidine IUPAC Name: (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one; 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine Traditional Name: (5S)-3-anilino-5-methyl-2-(methylthio)-5-phenyl-2-imidazolin-4-one; 1-[(2-chlorothiazol-5-yl)methyl]-2-methyl-3-nitro-guanidine Formula: C23H25ClN8O3S2 MolecularWeight: 561.0794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3.CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]

Isomeric SMILES

C[C@@]1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3.CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]

InChI

InChI=1S/C17H17N3OS.C6H8ClN5O2S/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14;1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h3-12,19H,1-2H3;2H,3H2,1H3,(H2,8,10,11)/t17-;/m0./s1