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

Systemtic Name: 4-chloranyl-2-methyl-N-[[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-chloro-2-methyl-aniline CAS Name: 4-chloro-2-methyl-N-[[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-chloro-2-methylaniline Traditional Name: [5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl-(4-chloro-2-methyl-phenyl)amine Formula: C23H21ClN4S MolecularWeight: 420.95764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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