N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H25N5O3S3 MolecularWeight: 491.6499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N5O3S3/c1-15-8-9-16(13-18(15)32(28,29)25-10-4-2-3-5-11-25)22-19(27)14-26-20(23-24-21(26)30)17-7-6-12-31-17/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,22,27)(H,24,30)