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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(m-tolyl)-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=CC=C2C#N)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H20N4S/c1-3-11-24-19(16-10-6-7-15(2)12-16)22-23-20(24)25-14-18-9-5-4-8-17(18)13-21/h4-10,12H,3,11,14H2,1-2H3