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

Systemtic Name: 4-azanyl-5-(3-bromophenyl)carbonyl-2-methylsulfanyl-thiophene-3-carbonitrile Openeye Name: 4-amino-5-(3-bromobenzoyl)-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 4-amino-5-[(3-bromophenyl)-oxomethyl]-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(3-bromobenzoyl)-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 4-amino-5-(3-bromobenzoyl)-2-(methylthio)thiophene-3-carbonitrile Formula: C13H9BrN2OS2 MolecularWeight: 353.25736

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C(=O)C2=CC(=CC=C2)Br)N)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C(=O)C2=CC(=CC=C2)Br)N)C#N

InChI

InChI=1S/C13H9BrN2OS2/c1-18-13-9(6-15)10(16)12(19-13)11(17)7-3-2-4-8(14)5-7/h2-5H,16H2,1H3