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

Systemtic Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile CAS Name: 2-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]pentanedinitrile IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]glutaronitrile Formula: C17H17N5S MolecularWeight: 323.41538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=CC=C2

Isomeric SMILES

C=CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H17N5S/c1-2-11-22-16(15-8-4-3-5-9-15)20-21-17(22)23-13-14(12-19)7-6-10-18/h2-5,8-9,14H,1,6-7,11,13H2