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

Systemtic Name: 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H14N6OS/c1-9-15-17-14(20(9)10-6-7-10)22-8-19-13(21)11-4-2-3-5-12(11)16-18-19/h2-5,10H,6-8H2,1H3