1-(4-chlorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-chlorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)propan-1-one CAS Name: 1-(4-chlorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-chlorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-chlorophenyl)propan-1-one Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3OS/c1-3-13-24-19(16-7-5-4-6-8-16)22-23-20(24)26-14(2)18(25)15-9-11-17(21)12-10-15/h3-12,14H,1,13H2,2H3