1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=CN2C3CC3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=CN2C3CC3

InChI

InChI=1S/C18H23N3OS/c1-12(23-17-20-19-11-21(17)15-9-10-15)16(22)13-5-7-14(8-6-13)18(2,3)4/h5-8,11-12,15H,9-10H2,1-4H3