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

Systemtic Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-aniline Openeye Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-aniline CAS Name: N-[[5-[(2-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylaniline IUPAC Name: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylaniline Traditional Name: [5-[(2-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=CC=C4Cl

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4Cl

InChI

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