2-[(4-azanyl-3-tert-butyl-2-nitro-phenyl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-3-tert-butyl-2-nitro-phenyl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[(4-amino-3-tert-butyl-2-nitro-phenyl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide CAS Name: 2-[(4-amino-3-tert-butyl-2-nitrophenyl)methylamino]-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[(4-amino-3-tert-butyl-2-nitrophenyl)methylamino]-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(4-amino-3-tert-butyl-2-nitro-benzyl)amino]-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]acetamide Formula: C17H25N7O3S MolecularWeight: 407.4905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)CNCC2=C(C(=C(C=C2)N)C(C)(C)C)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)CNCC2=C(C(=C(C=C2)N)C(C)(C)C)[N+](=O)[O-])SC

InChI

InChI=1S/C17H25N7O3S/c1-10-20-21-16(28-5)23(10)22-13(25)9-19-8-11-6-7-12(18)14(17(2,3)4)15(11)24(26)27/h6-7,19H,8-9,18H2,1-5H3,(H,22,25)