2,3,5-trimethyl-4-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)benzenecarbothioamide

Systemtic Name: 2,3,5-trimethyl-4-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)benzenecarbothioamide Openeye Name: 2,3,5-trimethyl-4-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)benzenecarbothioamide CAS Name: 2,3,5-trimethyl-4-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)benzenecarbothioamide IUPAC Name: 2,3,5-trimethyl-4-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)benzenecarbothioamide Traditional Name: 2,3,5-trimethyl-4-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)thiobenzamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=S)N)C)C)N2N=C3CCCCC3=[N+]2[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=S)N)C)C)N2N=C3CCCCC3=[N+]2[O-]

InChI

InChI=1S/C16H20N4OS/c1-9-8-12(16(17)22)10(2)11(3)15(9)19-18-13-6-4-5-7-14(13)20(19)21/h8H,4-7H2,1-3H3,(H2,17,22)