4-oxidanylidene-2-phenyl-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepine-3-carbonitrile

Systemtic Name: 4-oxidanylidene-2-phenyl-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepine-3-carbonitrile Openeye Name: 4-oxo-2-phenyl-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepine-3-carbonitrile CAS Name: 4-oxo-2-phenyl-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepine-3-carbonitrile IUPAC Name: 4-oxo-2-phenyl-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepine-3-carbonitrile Traditional Name: 4-keto-2-phenyl-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepine-3-carbonitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC2=NC(=C(C(=O)N2C1)C#N)C3=CC=CC=C3

Isomeric SMILES

C1CCSC2=NC(=C(C(=O)N2C1)C#N)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3OS/c16-10-12-13(11-6-2-1-3-7-11)17-15-18(14(12)19)8-4-5-9-20-15/h1-3,6-7H,4-5,8-9H2