2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 2-(phenylthio)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide IUPAC Name: 2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 2-(phenylthio)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]propionamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)CN2C=NC=N2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)CN2C=NC=N2)SC3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-15(25-18-5-3-2-4-6-18)19(24)21-11-16-7-9-17(10-8-16)12-23-14-20-13-22-23/h2-10,13-15H,11-12H2,1H3,(H,21,24)