(E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(5-nitrothiophen-2-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(5-nitrothiophen-2-yl)prop-2-enenitrile Openeye Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(5-nitro-2-thienyl)prop-2-enenitrile CAS Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(5-nitro-2-thiophenyl)-2-propenenitrile IUPAC Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(5-nitrothiophen-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(5-nitro-2-thienyl)acrylonitrile Formula: C10H7N5O2S MolecularWeight: 261.25988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C(=CC2=CC=C(S2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NC(=NN1)/C(=C/C2=CC=C(S2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C10H7N5O2S/c1-6-12-10(14-13-6)7(5-11)4-8-2-3-9(18-8)15(16)17/h2-4H,1H3,(H,12,13,14)/b7-4+