N-(pyridin-3-ylmethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-(3-pyridylmethyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-(3-pyridinylmethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-(3-pyridylmethyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C21H15N5OS MolecularWeight: 385.4417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3N2C(=S)NC4=C3C=CC(=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C3N2C(=S)NC4=C3C=CC(=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C21H15N5OS/c27-20(23-12-13-4-3-9-22-11-13)14-7-8-15-17(10-14)25-21(28)26-18-6-2-1-5-16(18)24-19(15)26/h1-11H,12H2,(H,23,27)(H,25,28)