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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=CC=CC=C2C#N

InChI

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