N-[[4-(3-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-(3-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(3-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[4-(3-chlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(3-chlorophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C23H21ClN4OS MolecularWeight: 436.95704

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC(=CC=C2)Cl)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21ClN4OS/c1-2-13-30-23-27-26-21(28(23)18-10-6-9-17(24)14-18)15-25-22(29)20-12-5-8-16-7-3-4-11-19(16)20/h3-12,14H,2,13,15H2,1H3,(H,25,29)