3-[4-(furan-2-ylmethyl)-5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(furan-2-ylmethyl)-5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-(2-furylmethyl)-5-(2-oxoazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-furanylmethyl)-5-[(2-oxo-3-azepanyl)thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(furan-2-ylmethyl)-5-(2-oxoazepan-3-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-(2-furfuryl)-5-[(2-ketoazepan-3-yl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C(N2CC3=CC=CO3)CCC(=O)N

InChI

InChI=1S/C16H21N5O3S/c17-13(22)6-7-14-19-20-16(21(14)10-11-4-3-9-24-11)25-12-5-1-2-8-18-15(12)23/h3-4,9,12H,1-2,5-8,10H2,(H2,17,22)(H,18,23)