3-[3-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]indol-1-yl]propionitrile Formula: C20H15N5OS MolecularWeight: 373.431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)N=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)/N=C\C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C20H15N5OS/c21-10-5-11-24-13-14(15-6-2-4-9-18(15)24)12-22-25-19(26)16-7-1-3-8-17(16)23-20(25)27/h1-4,6-9,12-13H,5,11H2,(H,23,27)/b22-12-