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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3S/c1-4-7-25-18(16-11-20-5-6-21-16)23-24-19(25)29-12-17(26)22-13-8-14(27-2)10-15(9-13)28-3/h4-6,8-11H,1,7,12H2,2-3H3,(H,22,26)