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

Systemtic Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrobenzonitrile IUPAC Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[[4-methyl-5-(2-thenyl)-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:

CN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C15H11N5O2S2/c1-19-14(8-11-3-2-6-23-11)17-18-15(19)24-13-5-4-10(9-16)7-12(13)20(21)22/h2-7H,8H2,1H3