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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-26-17-13-11-16(12-14-17)24-20(15-7-3-2-4-8-15)22-23-21(24)27-19-10-6-5-9-18(19)25/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3