3-[4-methyl-5-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CSC2=NN=C(N2C)CCC(=O)N

InChI

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