3-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(2-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(2-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxy-anilino)propanamide CAS Name: 3-(N-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-methoxyanilino)propanamide Traditional Name: 3-(N-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]-2-methoxy-anilino)propionamide Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2OC

InChI

InChI=1S/C18H25N5O4S/c1-3-4-10-23-17(26)20-21-18(23)28-12-16(25)22(11-9-15(19)24)13-7-5-6-8-14(13)27-2/h5-8H,3-4,9-12H2,1-2H3,(H2,19,24)(H,20,26)