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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-27-17-12-10-16(11-13-17)25-21(15-6-5-7-18(14-15)28-2)23-24-22(25)29-20-9-4-3-8-19(20)26/h5-7,10-14,20H,3-4,8-9H2,1-2H3