(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: (4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=S)N(C(=N2)C3=CN=CC=C3)CC=C

InChI

InChI=1S/C20H20N4O4S/c1-5-9-23-18(13-7-6-8-21-12-13)22-24(20(23)29)19(25)14-10-15(26-2)17(28-4)16(11-14)27-3/h5-8,10-12H,1,9H2,2-4H3