ethyl 5-azanyl-1-[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[(E)-3-(4-thioxo-1H-quinazolin-2-yl)prop-2-enoyl]triazole-4-carboxylate CAS Name: 5-amino-1-[(E)-1-oxo-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[(E)-3-(4-sulfanylidene-1H-quinazolin-2-yl)prop-2-enoyl]triazole-4-carboxylate Traditional Name: 5-amino-1-[(E)-3-(4-thioxo-1H-quinazolin-2-yl)acryloyl]triazole-4-carboxylic acid ethyl ester Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C(=O)C=CC2=NC(=S)C3=CC=CC=C3N2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C(=O)/C=C/C2=NC(=S)C3=CC=CC=C3N2)N

InChI

InChI=1S/C16H14N6O3S/c1-2-25-16(24)13-14(17)22(21-20-13)12(23)8-7-11-18-10-6-4-3-5-9(10)15(26)19-11/h3-8H,2,17H2,1H3,(H,18,19,26)/b8-7+