(2S)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C18H21N3OS/c22-15-8-4-5-9-16(15)23-18-20-19-17(14-10-11-14)21(18)12-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2/t16-/m0/s1