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

Systemtic Name: 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H20N6OS/c1-12-18-20-17(23(12)13-7-3-2-4-8-13)25-11-22-16(24)14-9-5-6-10-15(14)19-21-22/h5-6,9-10,13H,2-4,7-8,11H2,1H3