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

Systemtic Name: 4-azanyl-3-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[[4-(p-tolylsulfonyl)-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[[4-(4-methylphenyl)sulfonyl-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[(4-tosyl-1H-pyrrol-3-yl)sulfonylmethyl]-1H-1,2,4-triazole-5-thione Formula: C14H15N5O4S3 MolecularWeight: 413.495

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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)N3N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC=C2S(=O)(=O)CC3=NNC(=S)N3N

InChI

InChI=1S/C14H15N5O4S3/c1-9-2-4-10(5-3-9)26(22,23)12-7-16-6-11(12)25(20,21)8-13-17-18-14(24)19(13)15/h2-7,16H,8,15H2,1H3,(H,18,24)