2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)butyramide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H26N4O2S/c1-3-26(28(34)30-25-18-10-12-20-11-7-8-17-24(20)25)36-29-32-31-27(21-13-9-16-23(19-21)35-2)33(29)22-14-5-4-6-15-22/h4-19,26H,3H2,1-2H3,(H,30,34)