N-(2-dimethylaminoethyl)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-1-[1-[(4-methylsulfanylphenyl)methyl]-4-piperidyl]triazole-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidinyl]-4-triazolecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-1-[1-[4-(methylthio)benzyl]-4-piperidyl]triazole-4-carboxamide Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CN(N=N1)C2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CN(C)CCNC(=O)C1=CN(N=N1)C2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H30N6OS/c1-24(2)13-10-21-20(27)19-15-26(23-22-19)17-8-11-25(12-9-17)14-16-4-6-18(28-3)7-5-16/h4-7,15,17H,8-14H2,1-3H3,(H,21,27)