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

Systemtic Name: 4-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4S/c1-2-12-24-19(13-16-6-4-3-5-7-16)22-23-20(24)25-15-18-10-8-17(14-21)9-11-18/h3-11H,2,12-13,15H2,1H3