6-chloranyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C14H12ClN5OS MolecularWeight: 333.79598

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

C=CCN1C=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C14H12ClN5OS/c1-2-5-20-8-16-19-14(20)22-7-12-17-11-4-3-9(15)6-10(11)13(21)18-12/h2-4,6,8H,1,5,7H2,(H,17,18,21)