4-azanyl-5-(4-bromophenyl)carbonyl-2-phenylazanyl-thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(4-bromophenyl)carbonyl-2-phenylazanyl-thiophene-3-carbonitrile Openeye Name: 4-amino-2-anilino-5-(4-bromobenzoyl)thiophene-3-carbonitrile CAS Name: 4-amino-2-anilino-5-[(4-bromophenyl)-oxomethyl]-3-thiophenecarbonitrile IUPAC Name: 4-amino-2-anilino-5-(4-bromobenzoyl)thiophene-3-carbonitrile Traditional Name: 4-amino-2-anilino-5-(4-bromobenzoyl)thiophene-3-carbonitrile Formula: C18H12BrN3OS MolecularWeight: 398.27638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C18H12BrN3OS/c19-12-8-6-11(7-9-12)16(23)17-15(21)14(10-20)18(24-17)22-13-4-2-1-3-5-13/h1-9,22H,21H2