5-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-[[4-(p-tolylsulfonyl)-1H-pyrrol-3-yl]sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(4-tosyl-1H-pyrrol-3-yl)sulfonylmethyl]-3H-1,3,4-thiadiazole-2-thione Formula: C14H13N3O4S4 MolecularWeight: 415.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC3=NNC(=S)S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC3=NNC(=S)S3

InChI

InChI=1S/C14H13N3O4S4/c1-9-2-4-10(5-3-9)25(20,21)12-7-15-6-11(12)24(18,19)8-13-16-17-14(22)23-13/h2-7,15H,8H2,1H3,(H,17,22)