methyl 5-oxidanylidene-4-prop-2-enyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate

Systemtic Name: methyl 5-oxidanylidene-4-prop-2-enyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate Openeye Name: methyl 4-allyl-5-oxo-3-thioxo-1,2-dihydro-1,2,4-triazepine-7-carboxylate CAS Name: 5-oxo-4-prop-2-enyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-4-prop-2-enyl-3-sulfanylidene-1,2-dihydro-1,2,4-triazepine-7-carboxylate Traditional Name: 4-allyl-5-keto-3-thioxo-1,2-dihydro-1,2,4-triazepine-7-carboxylic acid methyl ester Formula: C9H11N3O3S MolecularWeight: 241.26694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=S)NN1)CC=C

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=S)NN1)CC=C

InChI

InChI=1S/C9H11N3O3S/c1-3-4-12-7(13)5-6(8(14)15-2)10-11-9(12)16/h3,5,10H,1,4H2,2H3,(H,11,16)