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

Systemtic Name: 4-[[4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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