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

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide Openeye Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide CAS Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide Traditional Name: 2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylpropyl)propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C(C)SC1=NN=C(N1N)C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-14(16-9-5-4-6-10-16)13-23-20(27)15(2)29-21-25-24-19(26(21)22)17-11-7-8-12-18(17)28-3/h4-12,14-15H,13,22H2,1-3H3,(H,23,27)