1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-tert-butylphenyl)-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C23H27N3OS2/c1-15(21(27)16-7-9-17(10-8-16)23(2,3)4)29-22-25-24-20(26(22)18-11-12-18)14-19-6-5-13-28-19/h5-10,13,15,18H,11-12,14H2,1-4H3