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

Systemtic Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C18H23N3O3S/c1-11(2)17-19-20-18(21(17)13-6-7-13)25-10-14(22)12-5-8-15(23-3)16(9-12)24-4/h5,8-9,11,13H,6-7,10H2,1-4H3