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

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-aniline Openeye Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-aniline CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylaniline IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylaniline Traditional Name: [5-[(4-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-(m-tolyl)amine Formula: C23H21ClN4S MolecularWeight: 420.95764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4S/c1-17-6-5-7-20(14-17)25-15-22-26-27-23(28(22)21-8-3-2-4-9-21)29-16-18-10-12-19(24)13-11-18/h2-14,25H,15-16H2,1H3