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

Systemtic Name: 6-chloranyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C17H16ClN5OS/c18-10-3-6-13-12(7-10)16(24)20-14(19-13)8-25-17-22-21-15(9-1-2-9)23(17)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,19,20,24)