2-(2-nitrophenyl)-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile

Systemtic Name: 2-(2-nitrophenyl)-3-oxidanylidene-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 2-(2-nitrophenyl)-3-oxo-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 2-(2-nitrophenyl)-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 2-(2-nitrophenyl)-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 3-keto-2-(2-nitrophenyl)-1-thioxo-6,7,8,9-tetrahydro-5H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C(=O)N(C(=S)N2CC1)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C16H14N4O3S/c17-10-11-12-6-2-1-5-9-18(12)16(24)19(15(11)21)13-7-3-4-8-14(13)20(22)23/h3-4,7-8H,1-2,5-6,9H2