2-[4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4CC4

InChI

InChI=1S/C21H20N4S/c1-2-25-20(17-11-12-17)23-24-21(25)26-14-15-7-9-16(10-8-15)19-6-4-3-5-18(19)13-22/h3-10,17H,2,11-12,14H2,1H3