N-(3,5-dimethylphenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-(1-pyrrolyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CS4)C

InChI

InChI=1S/C20H19N5OS2/c1-14-10-15(2)12-16(11-14)21-18(26)13-28-20-23-22-19(17-6-5-9-27-17)25(20)24-7-3-4-8-24/h3-12H,13H2,1-2H3,(H,21,26)