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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(azepan-1-ylsulfonyl)phenyl]ethanone Formula: C24H27N5O3S2 MolecularWeight: 497.63288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C24H27N5O3S2/c1-2-15-29-23(20-11-13-25-14-12-20)26-27-24(29)33-18-22(30)19-7-9-21(10-8-19)34(31,32)28-16-5-3-4-6-17-28/h2,7-14H,1,3-6,15-18H2