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

Systemtic Name: 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[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(=C2)C#N)C3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

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