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

Systemtic Name: 7-chloranyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C20H16ClN5OS/c21-13-8-9-15-16(10-13)22-17(23-19(15)27)11-28-20-25-24-18(12-6-7-12)26(20)14-4-2-1-3-5-14/h1-5,8-10,12H,6-7,11H2,(H,22,23,27)