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

Systemtic Name: 3-[4-ethyl-5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)CCC(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)CCC(=O)N

InChI

InChI=1S/C17H23N5O2S/c1-3-12-5-7-13(8-6-12)19-16(24)11-25-17-21-20-15(22(17)4-2)10-9-14(18)23/h5-8H,3-4,9-11H2,1-2H3,(H2,18,23)(H,19,24)