3-[4-ethyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(benzylamino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C16H21N5O2S/c1-2-21-14(9-8-13(17)22)19-20-16(21)24-11-15(23)18-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,17,22)(H,18,23)