N-(2-methylphenyl)-4-[4-(thiomorpholin-4-ylmethyl)-1,2,3-triazol-1-yl]piperidine-1-carboxamide

Systemtic Name: N-(2-methylphenyl)-4-[4-(thiomorpholin-4-ylmethyl)-1,2,3-triazol-1-yl]piperidine-1-carboxamide Openeye Name: N-(o-tolyl)-4-[4-(thiomorpholinomethyl)triazol-1-yl]piperidine-1-carboxamide CAS Name: N-(2-methylphenyl)-4-[4-(thiomorpholin-4-ylmethyl)-1-triazolyl]-1-piperidinecarboxamide IUPAC Name: N-(2-methylphenyl)-4-[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]piperidine-1-carboxamide Traditional Name: N-(o-tolyl)-4-[4-(thiomorpholinomethyl)triazol-1-yl]piperidine-1-carboxamide Formula: C20H28N6OS MolecularWeight: 400.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCC(CC2)N3C=C(N=N3)CN4CCSCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCC(CC2)N3C=C(N=N3)CN4CCSCC4

InChI

InChI=1S/C20H28N6OS/c1-16-4-2-3-5-19(16)21-20(27)25-8-6-18(7-9-25)26-15-17(22-23-26)14-24-10-12-28-13-11-24/h2-5,15,18H,6-14H2,1H3,(H,21,27)