N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-5-nitro-aniline

Systemtic Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-5-nitro-aniline Openeye Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-5-nitro-aniline CAS Name: N-[[5-[(2-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-5-nitroaniline IUPAC Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-methyl-5-nitroaniline Traditional Name: [5-[(2-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-(2-methyl-5-nitro-phenyl)amine Formula: C23H20ClN5O2S MolecularWeight: 465.9552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C23H20ClN5O2S/c1-16-11-12-19(29(30)31)13-21(16)25-14-22-26-27-23(28(22)18-8-3-2-4-9-18)32-15-17-7-5-6-10-20(17)24/h2-13,25H,14-15H2,1H3