N-[4-(azepan-1-yl)phenyl]-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H29N5O2S/c1-2-3-14-25-19(27)22-23-20(25)28-15-18(26)21-16-8-10-17(11-9-16)24-12-6-4-5-7-13-24/h8-11H,2-7,12-15H2,1H3,(H,21,26)(H,22,27)