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

Systemtic Name: 3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4CCCCC4

InChI

InChI=1S/C19H22N6OS/c1-2-12-24-17(14-8-4-3-5-9-14)21-22-19(24)27-13-25-18(26)15-10-6-7-11-16(15)20-23-25/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2