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

Systemtic Name: 3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H19N7OS MolecularWeight: 357.43336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H19N7OS/c17-23-14(11-6-2-1-3-7-11)19-20-16(23)25-10-22-15(24)12-8-4-5-9-13(12)18-21-22/h4-5,8-9,11H,1-3,6-7,10,17H2