2-azanyl-4-(2-methylpropyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2-methylpropyl)-6-methylsulfanyl-benzene-1,3-dicarbonitrile Openeye Name: 2-amino-4-isobutyl-6-methylsulfanyl-benzene-1,3-dicarbonitrile CAS Name: 2-amino-4-(2-methylpropyl)-6-(methylthio)benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-4-(2-methylpropyl)-6-methylsulfanylbenzene-1,3-dicarbonitrile Traditional Name: 2-amino-4-isobutyl-6-(methylthio)isophthalonitrile Formula: C13H15N3S MolecularWeight: 245.3433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C(=C1C#N)N)C#N)SC

Isomeric SMILES

CC(C)CC1=CC(=C(C(=C1C#N)N)C#N)SC

InChI

InChI=1S/C13H15N3S/c1-8(2)4-9-5-12(17-3)11(7-15)13(16)10(9)6-14/h5,8H,4,16H2,1-3H3