methyl 4-(2-sulfanylidene-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-4-yl)benzoate

Systemtic Name: methyl 4-(2-sulfanylidene-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-4-yl)benzoate Openeye Name: methyl 4-(2-thioxo-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-4-yl)benzoate CAS Name: 4-(2-sulfanylidene-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-sulfanylidene-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-4-yl)benzoate Traditional Name: 4-(2-thioxo-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-4-yl)benzoic acid methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2

InChI

InChI=1S/C20H18N2O2S/c1-24-19(23)14-8-6-13(7-9-14)17-16-11-10-12-4-2-3-5-15(12)18(16)22-20(25)21-17/h2-9,17H,10-11H2,1H3,(H2,21,22,25)