pyrrolidin-1-yl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: pyrrolidin-1-yl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: pyrrolidin-1-yl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: 1-pyrrolidinyl-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: pyrrolidin-1-yl-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: pyrrolidino-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C14H16N4OS/c19-13(18-7-1-2-8-18)12-5-3-11(4-6-12)9-20-14-15-10-16-17-14/h3-6,10H,1-2,7-9H2,(H,15,16,17)