4-azanyl-5-(4-chlorophenyl)carbonyl-2-(3-methylquinoxalin-2-yl)thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(4-chlorophenyl)carbonyl-2-(3-methylquinoxalin-2-yl)thiophene-3-carbonitrile Openeye Name: 4-amino-5-(4-chlorobenzoyl)-2-(3-methylquinoxalin-2-yl)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(4-chlorophenyl)-oxomethyl]-2-(3-methyl-2-quinoxalinyl)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(4-chlorobenzoyl)-2-(3-methylquinoxalin-2-yl)thiophene-3-carbonitrile Traditional Name: 4-amino-5-(4-chlorobenzoyl)-2-(3-methylquinoxalin-2-yl)thiophene-3-carbonitrile Formula: C21H13ClN4OS MolecularWeight: 404.87212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C3=C(C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C3=C(C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N)C#N

InChI

InChI=1S/C21H13ClN4OS/c1-11-18(26-16-5-3-2-4-15(16)25-11)20-14(10-23)17(24)21(28-20)19(27)12-6-8-13(22)9-7-12/h2-9H,24H2,1H3