(3S,4R)-6-azanyl-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide

Systemtic Name: (3S,4R)-6-azanyl-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide Openeye Name: (3S,4R)-6-amino-4-(3-bromophenyl)-5-cyano-2-thioxo-3,4-dihydro-1H-pyridine-3-carboxamide CAS Name: (3S,4R)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide IUPAC Name: (3S,4R)-6-amino-4-(3-bromophenyl)-5-cyano-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide Traditional Name: (3S,4R)-6-amino-4-(3-bromophenyl)-5-cyano-2-thioxo-3,4-dihydro-1H-pyridine-3-carboxamide Formula: C13H11BrN4OS MolecularWeight: 351.22164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2C(C(=S)NC(=C2C#N)N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)[C@H]2[C@H](C(=S)NC(=C2C#N)N)C(=O)N

InChI

InChI=1S/C13H11BrN4OS/c14-7-3-1-2-6(4-7)9-8(5-15)11(16)18-13(20)10(9)12(17)19/h1-4,9-10H,16H2,(H2,17,19)(H,18,20)/t9-,10+/m1/s1