N-[3-[4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]propanamide

Systemtic Name: N-[3-[4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]propanamide Openeye Name: N-[3-[4-methyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]propanamide CAS Name: N-[3-[4-methyl-5-(1-naphthalenylmethylthio)-1,2,4-triazol-3-yl]phenyl]propanamide IUPAC Name: N-[3-[4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]propanamide Traditional Name: N-[3-[4-methyl-5-(1-naphthylmethylthio)-1,2,4-triazol-3-yl]phenyl]propionamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H22N4OS/c1-3-21(28)24-19-12-7-10-17(14-19)22-25-26-23(27(22)2)29-15-18-11-6-9-16-8-4-5-13-20(16)18/h4-14H,3,15H2,1-2H3,(H,24,28)