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

Systemtic Name: 3-ethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-ethoxy-4-isobutoxy-benzamide CAS Name: 3-ethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-ethoxy-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-ethoxy-4-isobutoxy-benzamide Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)OCC(C)C

InChI

InChI=1S/C22H27N5O3S2/c1-6-10-27-19(25-26-22(27)31)18-14(5)23-21(32-18)24-20(28)15-8-9-16(30-12-13(3)4)17(11-15)29-7-2/h6,8-9,11,13H,1,7,10,12H2,2-5H3,(H,26,31)(H,23,24,28)