2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)-1-propanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethylphenyl)propan-1-one Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethylphenyl)propan-1-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C22H23N3OS/c1-14-9-10-18(13-15(14)2)20(26)16(3)27-22-24-23-21(17-11-12-17)25(22)19-7-5-4-6-8-19/h4-10,13,16-17H,11-12H2,1-3H3