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

Systemtic Name: 3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H15N7OS MolecularWeight: 377.423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CN=CC=C5

InChI

InChI=1S/C18H15N7OS/c26-17-14-5-1-2-6-15(14)20-23-24(17)11-27-18-22-21-16(25(18)13-7-8-13)12-4-3-9-19-10-12/h1-6,9-10,13H,7-8,11H2