2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-ethyl-amino]-N-(2-thenyl)acetamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O2S2/c1-2-26(13-18(28)23-12-17-6-4-10-30-17)19(29)14-31-21-25-24-20(27(21)16-7-8-16)15-5-3-9-22-11-15/h3-6,9-11,16H,2,7-8,12-14H2,1H3,(H,23,28)