N-[4-(azepan-1-yl)phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C19H25N5OS/c1-2-11-24-15-20-22-19(24)26-14-18(25)21-16-7-9-17(10-8-16)23-12-5-3-4-6-13-23/h2,7-10,15H,1,3-6,11-14H2,(H,21,25)