2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CO2)N3CCCC3

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CO2)N3CCCC3

InChI

InChI=1S/C17H22N6O3S/c1-2-7-18-15(25)19-14(24)12-27-17-21-20-16(22-8-3-4-9-22)23(17)11-13-6-5-10-26-13/h2,5-6,10H,1,3-4,7-9,11-12H2,(H2,18,19,24,25)