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

Systemtic Name: 3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C17H19N7OS/c25-15-13-5-1-2-6-14(13)18-21-23(15)11-26-17-20-19-16(22-9-3-4-10-22)24(17)12-7-8-12/h1-2,5-6,12H,3-4,7-11H2