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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-1-butanone IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-phenyl-butan-1-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-19(16-8-3-1-4-9-16)12-7-15-26-21-23-22-20(17-13-14-17)24(21)18-10-5-2-6-11-18/h1-6,8-11,17H,7,12-15H2