4-(7-oxidanylidene-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(7-oxidanylidene-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzenecarbonitrile Openeye Name: 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile CAS Name: 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile IUPAC Name: 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile Traditional Name: 4-(7-keto-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzonitrile Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C13H10N4OS/c14-5-8-1-3-9(4-2-8)12-10-6-15-17-13(10)16-11(18)7-19-12/h1-4,6,12H,7H2,(H2,15,16,17,18)