3-[4-cyclopropyl-5-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC(=O)NCC3=CC=CO3)CCC(=O)N

InChI

InChI=1S/C16H20N6O4S/c17-12(23)5-6-13-20-21-16(22(13)10-3-4-10)27-9-14(24)19-15(25)18-8-11-2-1-7-26-11/h1-2,7,10H,3-6,8-9H2,(H2,17,23)(H2,18,19,24,25)