(2S)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SC3CCCCC3=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2S[C@H]3CCCCC3=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S2/c1-13-9-10-16(25-2)14(12-13)23-19(18-8-5-11-26-18)21-22-20(23)27-17-7-4-3-6-15(17)24/h5,8-12,17H,3-4,6-7H2,1-2H3/t17-/m0/s1