2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H26N6OS/c1-16-7-3-4-8-19(16)21-25-26-22(28(21)23)30-15-20(29)24-17-9-11-18(12-10-17)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-15,23H2,1H3,(H,24,29)