N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[1-(p-tolylsulfonyl)-4-piperidyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-tosyl-4-piperidyl)propionamide Formula: C21H25N5O3S3 MolecularWeight: 491.6499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H25N5O3S3/c1-15-4-6-17(7-5-15)32(28,29)25-11-8-16(9-12-25)22-19(27)10-13-26-20(23-24-21(26)30)18-3-2-14-31-18/h2-7,14,16H,8-13H2,1H3,(H,22,27)(H,24,30)