N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl]pentanamide

Systemtic Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-phenyl]pentanamide Openeye Name: N-[4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-phenyl]pentanamide CAS Name: N-[4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methylphenyl]pentanamide IUPAC Name: N-[4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylphenyl]pentanamide Traditional Name: N-[4-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-phenyl]valeramide Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3)C

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3)C

InChI

InChI=1S/C22H27N5O2S2/c1-4-6-9-19(28)23-16-10-11-17(15(3)13-16)24-20(29)14-31-22-26-25-21(27(22)5-2)18-8-7-12-30-18/h7-8,10-13H,4-6,9,14H2,1-3H3,(H,23,28)(H,24,29)