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

Systemtic Name: 7-chloranyl-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H20ClN5OS MolecularWeight: 389.9023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5OS/c1-11-22-23-18(24(11)13-5-3-2-4-6-13)26-10-16-20-15-9-12(19)7-8-14(15)17(25)21-16/h7-9,13H,2-6,10H2,1H3,(H,20,21,25)