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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-1-(azepan-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-1-(azepan-1-yl)ethanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c1-2-12-24-18(15-17-10-6-5-7-11-17)21-22-20(24)26-16-19(25)23-13-8-3-4-9-14-23/h2,5-7,10-11H,1,3-4,8-9,12-16H2