3,4,5-triethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3,4,5-triethoxy-benzamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

InChI

InChI=1S/C22H27N5O4S2/c1-6-10-27-19(25-26-22(27)32)18-13(5)23-21(33-18)24-20(28)14-11-15(29-7-2)17(31-9-4)16(12-14)30-8-3/h6,11-12H,1,7-10H2,2-5H3,(H,26,32)(H,23,24,28)