3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H18N6OS2 MolecularWeight: 374.48372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H18N6OS2/c23-14-12-8-4-5-9-13(12)18-21-22(14)10-24-16-20-19-15(25-16)17-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,19)