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

Systemtic Name: 2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C13H15N5S MolecularWeight: 273.3567

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC=CC=C2C#N

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C13H15N5S/c1-2-5-12-16-17-13(18(12)15)19-9-11-7-4-3-6-10(11)8-14/h3-4,6-7H,2,5,9,15H2,1H3