N-[4-(azepan-1-yl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-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-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C24H28N6OS/c1-2-14-30-23(19-8-7-13-25-17-19)27-28-24(30)32-18-22(31)26-20-9-11-21(12-10-20)29-15-5-3-4-6-16-29/h2,7-13,17H,1,3-6,14-16,18H2,(H,26,31)