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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)propan-1-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-14-8-10-16(11-9-14)19(25)15(2)26-21-23-22-20(17-12-13-17)24(21)18-6-4-3-5-7-18/h3-11,15,17H,12-13H2,1-2H3