6-chloranyl-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H14ClN5O2S MolecularWeight: 351.81126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C14H14ClN5O2S/c1-2-5-20-13(22)18-19-14(20)23-7-11-16-10-4-3-8(15)6-9(10)12(21)17-11/h3-4,6H,2,5,7H2,1H3,(H,18,22)(H,16,17,21)