8-methyl-2-[[4-phenyl-5-[(1S)-1-piperidin-1-ylethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[4-phenyl-5-[(1S)-1-piperidin-1-ylethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[4-phenyl-5-[(1S)-1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[4-phenyl-5-[(1S)-1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[4-phenyl-5-[(1S)-1-piperidin-1-ylethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[4-phenyl-5-[(1S)-1-piperidinoethyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C(C)N5CCCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)[C@H](C)N5CCCCC5

InChI

InChI=1S/C25H28N6OS/c1-17-10-9-13-20-22(17)26-21(27-24(20)32)16-33-25-29-28-23(18(2)30-14-7-4-8-15-30)31(25)19-11-5-3-6-12-19/h3,5-6,9-13,18H,4,7-8,14-16H2,1-2H3,(H,26,27,32)/t18-/m0/s1