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

Systemtic Name: 3-[3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C

InChI

InChI=1S/C18H25N5O2S2/c1-12-8-13(2)10-22(9-12)16(25)11-27-18-21-20-17(14-4-3-7-26-14)23(18)6-5-15(19)24/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H2,19,24)