N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18N6O2S MolecularWeight: 418.47162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C21H18N6O2S/c1-3-9-27-20(29)16-8-7-14(11-17(16)24-21(27)30)19(28)23-15-6-4-5-13(10-15)18-25-22-12-26(18)2/h3-8,10-12H,1,9H2,2H3,(H,23,28)(H,24,30)