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

Systemtic Name: 2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[(phenylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCCC2)CSC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCCC2)CSC3=CC=CC=C3

InChI

InChI=1S/C18H22N4OS2/c1-2-10-22-16(13-24-15-8-4-3-5-9-15)19-20-18(22)25-14-17(23)21-11-6-7-12-21/h2-5,8-9H,1,6-7,10-14H2