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

Systemtic Name: 4-azanyl-3-[[4-(phenylsulfonyl)-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[[4-(benzenesulfonyl)-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[[4-(benzenesulfonyl)-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[[4-(benzenesulfonyl)-1H-pyrrol-3-yl]sulfonylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[(4-besyl-1H-pyrrol-3-yl)sulfonylmethyl]-1H-1,2,4-triazole-5-thione Formula: C13H13N5O4S3 MolecularWeight: 399.46842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4S3/c14-18-12(16-17-13(18)23)8-24(19,20)10-6-15-7-11(10)25(21,22)9-4-2-1-3-5-9/h1-7,15H,8,14H2,(H,17,23)