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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N5O2S/c1-14(21(28)24-19-9-5-7-15-6-3-4-8-18(15)19)30-22-26-25-20(27(22)23)16-10-12-17(29-2)13-11-16/h3-14H,23H2,1-2H3,(H,24,28)