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

Systemtic Name: 3-[5-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C17H24N6O2S MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)CCC(=O)N

InChI

InChI=1S/C17H24N6O2S/c1-22(2)13-6-4-12(5-7-13)10-19-16(25)11-26-17-21-20-15(23(17)3)9-8-14(18)24/h4-7H,8-11H2,1-3H3,(H2,18,24)(H,19,25)