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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=NC=N4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)CN4C=NC=N4)NC1=S

InChI

InChI=1S/C21H18N6O2S/c1-2-8-27-20(29)17-7-6-15(10-18(17)25-21(27)30)19(28)24-16-5-3-4-14(9-16)11-26-13-22-12-23-26/h2-7,9-10,12-13H,1,8,11H2,(H,24,28)(H,25,30)