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

Systemtic Name: 4-[[5-(2-azanylethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2-aminoethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2-aminoethyl)-4-benzyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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=C(C=C3)C#N)CCN

Isomeric SMILES

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

InChI

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