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

Systemtic Name: 2-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-ethyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetyl]-ethyl-amino]-N-(2-thenyl)acetamide Formula: C20H28N6O2S2 MolecularWeight: 448.60532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)CSC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C20H28N6O2S2/c1-2-24(13-17(27)21-12-16-6-5-11-29-16)18(28)14-30-20-23-22-19(25-9-3-4-10-25)26(20)15-7-8-15/h5-6,11,15H,2-4,7-10,12-14H2,1H3,(H,21,27)