2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C15H16ClN5O2S MolecularWeight: 365.83784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C15H16ClN5O2S/c1-2-3-6-21-14(23)19-20-15(21)24-8-12-17-11-7-9(16)4-5-10(11)13(22)18-12/h4-5,7H,2-3,6,8H2,1H3,(H,19,23)(H,17,18,22)