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

Systemtic Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H14N6OS2 MolecularWeight: 382.46266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CS5

InChI

InChI=1S/C17H14N6OS2/c24-16-12-4-1-2-5-13(12)18-21-22(16)10-26-17-20-19-15(14-6-3-9-25-14)23(17)11-7-8-11/h1-6,9,11H,7-8,10H2