2-[1-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCCC5

InChI

InChI=1S/C24H26N6OS/c1-17(22-25-20-13-7-6-12-19(20)23(31)26-22)32-24-28-27-21(16-29-14-8-3-9-15-29)30(24)18-10-4-2-5-11-18/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3,(H,25,26,31)