3-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[(3-chlorophenyl)methylthio]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-4,5-diphenyl-1,2,4-triazole Formula: C21H16ClN3S MolecularWeight: 377.88984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClN3S/c22-18-11-7-8-16(14-18)15-26-21-24-23-20(17-9-3-1-4-10-17)25(21)19-12-5-2-6-13-19/h1-14H,15H2