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

Systemtic Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C18H16N6OS2 MolecularWeight: 396.48924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=CS5

InChI

InChI=1S/C18H16N6OS2/c25-17-14-5-1-2-6-15(14)19-22-23(17)11-27-18-21-20-16(24(18)12-7-8-12)10-13-4-3-9-26-13/h1-6,9,12H,7-8,10-11H2