N'-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-phenyl-2H-1,3,4-thiadiazole-3-carboximidamide

Systemtic Name: N'-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-phenyl-2H-1,3,4-thiadiazole-3-carboximidamide Openeye Name: N'-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-phenyl-2H-1,3,4-thiadiazole-3-carboxamidine CAS Name: N'-[4-[(2,5-dimethyl-1-pyrrolyl)sulfonyl]phenyl]-2-phenyl-2H-1,3,4-thiadiazole-3-carboximidamide IUPAC Name: N'-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-phenyl-2H-1,3,4-thiadiazole-3-carboximidamide Traditional Name: N'-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-phenyl-2H-1,3,4-thiadiazole-3-carboxamidine Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1S(=O)(=O)C2=CC=C(C=C2)N=C(N)N3C(SC=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1S(=O)(=O)C2=CC=C(C=C2)N=C(N)N3C(SC=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O2S2/c1-15-8-9-16(2)26(15)30(27,28)19-12-10-18(11-13-19)24-21(22)25-20(29-14-23-25)17-6-4-3-5-7-17/h3-14,20H,1-2H3,(H2,22,24)