3-[4-ethyl-5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)CCC(=O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)CCC(=O)N)C

InChI

InChI=1S/C18H25N5O2S/c1-4-13-8-6-7-12(3)17(13)20-16(25)11-26-18-22-21-15(23(18)5-2)10-9-14(19)24/h6-8H,4-5,9-11H2,1-3H3,(H2,19,24)(H,20,25)