2-(cyclohexylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-(cyclohexylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-(cyclohexylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-(cyclohexylmethylthio)-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-(cyclohexylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-(cyclohexylmethylthio)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C1CCC(CC1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C17H19N5OS/c23-15-13-8-4-5-9-14(13)20-17(22(15)16-18-11-19-21-16)24-10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,18,19,21)