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

Systemtic Name: 3-[3-(furan-2-yl)-5-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(2-furyl)-5-[(3S)-2-oxoazepan-3-yl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(2-furanyl)-5-[[(3S)-2-oxo-3-azepanyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(furan-2-yl)-5-[(3S)-2-oxoazepan-3-yl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-(2-furyl)-5-[[(3S)-2-ketoazepan-3-yl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2CCC(=O)N)C3=CC=CO3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NN=C(N2CCC(=O)N)C3=CC=CO3

InChI

InChI=1S/C15H19N5O3S/c16-12(21)6-8-20-13(10-4-3-9-23-10)18-19-15(20)24-11-5-1-2-7-17-14(11)22/h3-4,9,11H,1-2,5-8H2,(H2,16,21)(H,17,22)/t11-/m0/s1