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

Systemtic Name: 2-[(5-azanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-allyl-5-amino-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-allyl-5-amino-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C13H13N5S MolecularWeight: 271.34082

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)N

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2C#N)N

InChI

InChI=1S/C13H13N5S/c1-2-7-18-12(15)16-17-13(18)19-9-11-6-4-3-5-10(11)8-14/h2-6H,1,7,9H2,(H2,15,16)