N-[2-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)ethyl]-3-oxidanylsulfonothioyl-benzamide

Systemtic Name: N-[2-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)ethyl]-3-oxidanylsulfonothioyl-benzamide Openeye Name: N-[2-(1,5-dimethyl-3-thioxo-1,2,4-triazolidin-4-yl)ethyl]-3-hydroxysulfonothioyl-benzamide CAS Name: N-[2-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)ethyl]-3-hydroxysulfonothioylbenzamide IUPAC Name: N-[2-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)ethyl]-3-hydroxysulfonothioylbenzamide Traditional Name: N-[2-(1,5-dimethyl-3-thioxo-1,2,4-triazolidin-4-yl)ethyl]-3-hydroxysulfonothioyl-benzamide Formula: C13H18N4O3S3 MolecularWeight: 374.50202

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=S)N1CCNC(=O)C2=CC(=CC=C2)S(=O)(=S)O)C

Isomeric SMILES

CC1N(NC(=S)N1CCNC(=O)C2=CC(=CC=C2)S(=O)(=S)O)C

InChI

InChI=1S/C13H18N4O3S3/c1-9-16(2)15-13(21)17(9)7-6-14-12(18)10-4-3-5-11(8-10)23(19,20)22/h3-5,8-9H,6-7H2,1-2H3,(H,14,18)(H,15,21)(H,19,20,22)