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

Systemtic Name: 3-[[5-(2-azanylethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-aminoethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H19N5S MolecularWeight: 349.45266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC(=C3)C#N)CCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC(=C3)C#N)CCN

InChI

InChI=1S/C19H19N5S/c20-10-9-18-22-23-19(24(18)13-15-5-2-1-3-6-15)25-14-17-8-4-7-16(11-17)12-21/h1-8,11H,9-10,13-14,20H2