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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)OC

InChI

InChI=1S/C21H21N3O3S/c1-26-18-11-10-15(12-19(18)27-2)17(25)13-28-21-23-22-20(14-8-9-14)24(21)16-6-4-3-5-7-16/h3-7,10-12,14H,8-9,13H2,1-2H3