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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC(=O)NC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC(=O)NC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25N5O3S/c1-5-6-11-23-15(13-7-9-14(26-4)10-8-13)21-22-18(23)27-12(2)16(24)20-17(25)19-3/h7-10,12H,5-6,11H2,1-4H3,(H2,19,20,24,25)