(3S)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one

Systemtic Name: (3S)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Openeye Name: (3S)-3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclopentanone CAS Name: (3S)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-cyclopentanone IUPAC Name: (3S)-3-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-one Traditional Name: (3S)-3-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclopentanone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC2CCC(=O)C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1S[C@H]2CCC(=O)C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H21N3O2S/c1-11(2)20-16(12-4-7-14(22-3)8-5-12)18-19-17(20)23-15-9-6-13(21)10-15/h4-5,7-8,11,15H,6,9-10H2,1-3H3/t15-/m0/s1