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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3)OC

InChI

InChI=1S/C19H19N5O3S/c1-4-9-24-18(14-11-20-7-8-21-14)22-23-19(24)28-12-15(25)13-5-6-16(26-2)17(10-13)27-3/h4-8,10-11H,1,9,12H2,2-3H3