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

Systemtic Name: 6-chloranyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C22H21ClN6OS MolecularWeight: 452.95974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C22H21ClN6OS/c23-15-9-10-18-17(13-15)20(30)25-19(24-18)14-31-22-27-26-21(28-11-5-2-6-12-28)29(22)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,24,25,30)