4-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C19H18ClN3OS MolecularWeight: 371.88372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3OS/c1-14(24)11-12-25-19-22-21-18(16-7-9-17(20)10-8-16)23(19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3