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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C13H13N5S/c14-7-10-3-1-2-4-11(10)8-19-13-17-16-12(18(13)15)9-5-6-9/h1-4,9H,5-6,8,15H2