(Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1,2,4-triazol-1-yl)hex-2-enenitrile

Systemtic Name: (Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1,2,4-triazol-1-yl)hex-2-enenitrile Openeye Name: (Z)-4-ethyl-3-(p-tolylsulfonyl)-2-(1,2,4-triazol-1-yl)hex-2-enenitrile CAS Name: (Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1,2,4-triazol-1-yl)-2-hexenenitrile IUPAC Name: (Z)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-(1,2,4-triazol-1-yl)hex-2-enenitrile Traditional Name: (Z)-4-ethyl-3-tosyl-2-(1,2,4-triazol-1-yl)hex-2-enenitrile Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=C(C#N)N1C=NC=N1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)/C(=C(\C#N)/N1C=NC=N1)/S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20N4O2S/c1-4-14(5-2)17(16(10-18)21-12-19-11-20-21)24(22,23)15-8-6-13(3)7-9-15/h6-9,11-12,14H,4-5H2,1-3H3/b17-16-