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

Systemtic Name: 2-[4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4S/c1-2-13-26-21(18-11-12-18)24-25-22(26)27-15-16-7-9-17(10-8-16)20-6-4-3-5-19(20)14-23/h2-10,18H,1,11-13,15H2