1,3-diphenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one

Systemtic Name: 1,3-diphenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Openeye Name: 1,3-diphenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one CAS Name: 1,3-diphenyl-3-(phenylthio)-2-(1,2,4-triazol-1-ylmethyl)-1-propanone IUPAC Name: 1,3-diphenyl-3-phenylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Traditional Name: 1,3-diphenyl-3-(phenylthio)-2-(1,2,4-triazol-1-ylmethyl)propan-1-one Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(CN2C=NC=N2)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H21N3OS/c28-23(19-10-4-1-5-11-19)22(16-27-18-25-17-26-27)24(20-12-6-2-7-13-20)29-21-14-8-3-9-15-21/h1-15,17-18,22,24H,16H2