1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxamide Openeye Name: 1-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxamide CAS Name: 1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxamide Traditional Name: 1-[3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]isonipecotamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H23N5O2S/c1-12-3-2-4-14(11-12)17-20-21-18(26)23(17)10-7-15(24)22-8-5-13(6-9-22)16(19)25/h2-4,11,13H,5-10H2,1H3,(H2,19,25)(H,21,26)