8-chloranyl-1-methyl-4-oxidanylidene-3-thiophen-3-yl-3,6-dihydro-2H-[1,2]diazepino[4,3-b]quinoxaline-5-carbonitrile

Systemtic Name: 8-chloranyl-1-methyl-4-oxidanylidene-3-thiophen-3-yl-3,6-dihydro-2H-[1,2]diazepino[4,3-b]quinoxaline-5-carbonitrile Openeye Name: 8-chloro-1-methyl-4-oxo-3-(3-thienyl)-3,6-dihydro-2H-diazepino[4,3-b]quinoxaline-5-carbonitrile CAS Name: 8-chloro-1-methyl-4-oxo-3-(3-thiophenyl)-3,6-dihydro-2H-diazepino[4,3-b]quinoxaline-5-carbonitrile IUPAC Name: 8-chloro-1-methyl-4-oxo-3-thiophen-3-yl-3,6-dihydro-2H-diazepino[4,3-b]quinoxaline-5-carbonitrile Traditional Name: 8-chloro-4-keto-1-methyl-3-(3-thienyl)-3,6-dihydro-2H-diazepino[4,3-b]quinoxaline-5-carbonitrile Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=C(C=C(C=C3)Cl)NC2=C(C(=O)C(N1)C4=CSC=C4)C#N

Isomeric SMILES

CN1C2=NC3=C(C=C(C=C3)Cl)NC2=C(C(=O)C(N1)C4=CSC=C4)C#N

InChI

InChI=1S/C17H12ClN5OS/c1-23-17-15(20-13-6-10(18)2-3-12(13)21-17)11(7-19)16(24)14(22-23)9-4-5-25-8-9/h2-6,8,14,20,22H,1H3