3,4-diphenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3,4-diphenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4,5-diphenyl-1,2,4-triazole CAS Name: 3,4-diphenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4,5-diphenyl-1,2,4-triazole Formula: C21H17N3S MolecularWeight: 343.44478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3S/c1-4-10-17(11-5-1)16-25-21-23-22-20(18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-15H,16H2