2-[(1R)-1-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C21H25N5OS/c1-3-13-26-19(15-9-5-4-6-10-15)24-25-21(26)28-14(2)18-22-17-12-8-7-11-16(17)20(27)23-18/h3,7-8,11-12,14-15H,1,4-6,9-10,13H2,2H3,(H,22,23,27)/t14-/m1/s1