2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H21N5OS/c1-12-21-22-18(23(12)13-7-3-2-4-8-13)25-11-16-19-15-10-6-5-9-14(15)17(24)20-16/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,20,24)