3-[[4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N5S/c22-13-17-8-4-9-18(12-17)15-27-21-25-24-20(19-10-5-11-23-19)26(21)14-16-6-2-1-3-7-16/h1-4,6-9,12,19,23H,5,10-11,14-15H2