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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3CC3)OC

InChI

InChI=1S/C18H21N3O3S/c1-4-9-21-17(12-5-6-12)19-20-18(21)25-11-14(22)13-7-8-15(23-2)16(10-13)24-3/h4,7-8,10,12H,1,5-6,9,11H2,2-3H3