2-[[5-(2-methoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-methoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-methoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(2-methoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=CC=C3OC

Isomeric SMILES

COCCCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=CC=C3OC

InChI

InChI=1S/C21H22N4O2S/c1-26-13-7-12-25-20(18-10-5-6-11-19(18)27-2)23-24-21(25)28-15-17-9-4-3-8-16(17)14-22/h3-6,8-11H,7,12-13,15H2,1-2H3