2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-benzyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC#N

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC#N

InChI

InChI=1S/C16H19N5S/c17-8-11-22-16-19-18-15(13-20-9-4-5-10-20)21(16)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,9-13H2