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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-piperidinophenyl)propionamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N6O2S/c1-16(22(30)25-18-8-10-19(11-9-18)28-14-4-3-5-15-28)32-23-27-26-21(29(23)24)17-6-12-20(31-2)13-7-17/h6-13,16H,3-5,14-15,24H2,1-2H3,(H,25,30)