ethyl 3-[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H18N6O5S2 MolecularWeight: 474.51342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O5S2/c1-4-6-24-15(22-23-19(24)31)14-10(3)20-18(32-14)21-16(26)11-7-12(17(27)30-5-2)9-13(8-11)25(28)29/h4,7-9H,1,5-6H2,2-3H3,(H,23,31)(H,20,21,26)