3-[5-(4-azanyl-3,6-dimethyl-2-oxidanylidene-7H-1,3,5-oxadiazepin-6-yl)thiophen-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(4-azanyl-3,6-dimethyl-2-oxidanylidene-7H-1,3,5-oxadiazepin-6-yl)thiophen-3-yl]benzenecarbonitrile Openeye Name: 3-[5-(4-amino-3,6-dimethyl-2-oxo-7H-1,3,5-oxadiazepin-6-yl)-3-thienyl]benzonitrile CAS Name: 3-[5-(4-amino-3,6-dimethyl-2-oxo-7H-1,3,5-oxadiazepin-6-yl)-3-thiophenyl]benzonitrile IUPAC Name: 3-[5-(4-amino-3,6-dimethyl-2-oxo-7H-1,3,5-oxadiazepin-6-yl)thiophen-3-yl]benzonitrile Traditional Name: 3-[5-(4-amino-2-keto-3,6-dimethyl-7H-1,3,5-oxadiazepin-6-yl)-3-thienyl]benzonitrile Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)N(C(=N1)N)C)C2=CC(=CS2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1(COC(=O)N(C(=N1)N)C)C2=CC(=CS2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16N4O2S/c1-17(10-23-16(22)21(2)15(19)20-17)14-7-13(9-24-14)12-5-3-4-11(6-12)8-18/h3-7,9H,10H2,1-2H3,(H2,19,20)