4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzonitrile Formula: C15H11N5O2S2 MolecularWeight: 357.41014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C15H11N5O2S2/c1-2-19-14(13-4-3-7-23-13)17-18-15(19)24-12-6-5-10(9-16)8-11(12)20(21)22/h3-8H,2H2,1H3