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

Systemtic Name: (2S)-2-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[5-(2-chlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC3CCCCC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2S[C@H]3CCCCC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-27-15-12-10-14(11-13-15)25-20(16-6-2-3-7-17(16)22)23-24-21(25)28-19-9-5-4-8-18(19)26/h2-3,6-7,10-13,19H,4-5,8-9H2,1H3/t19-/m0/s1