2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)OC

InChI

InChI=1S/C20H20N4O3S/c1-26-17-8-5-13(10-18(17)27-2)16(25)12-28-20-23-22-19(24(20)15-6-7-15)14-4-3-9-21-11-14/h3-5,8-11,15H,6-7,12H2,1-2H3