N5-[(3-bromophenyl)-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)-oxidanylidene-$l^{6}-sulfanylidene]pyridine-2,5-dicarboxamide

Systemtic Name: N5-[(3-bromophenyl)-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)-oxidanylidene-$l^{6}-sulfanylidene]pyridine-2,5-dicarboxamide Openeye Name: N5-[(3-bromophenyl)-(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)-oxo-$l^{6}-sulfanylidene]pyridine-2,5-dicarboxamide CAS Name: N5-[(3-bromophenyl)-[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]-oxo-$l^{6}-sulfanylidene]pyridine-2,5-dicarboxamide IUPAC Name: 5-N-[(3-bromophenyl)-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)-oxo-$l^{6}-sulfanylidene]pyridine-2,5-dicarboxamide Traditional Name: N'-[[5-amidino-2-(methylthio)-3-thienyl]-(3-bromophenyl)-keto-persulfuranylidene]isocinchomeronamide Formula: C19H16BrN5O3S3 MolecularWeight: 538.46104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=NC(=O)C2=CN=C(C=C2)C(=O)N)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=NC(=O)C2=CN=C(C=C2)C(=O)N)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H16BrN5O3S3/c1-29-19-15(8-14(30-19)16(21)22)31(28,12-4-2-3-11(20)7-12)25-18(27)10-5-6-13(17(23)26)24-9-10/h2-9H,1H3,(H3,21,22)(H2,23,26)