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

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-5-nitrobenzonitrile IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-5-nitro-benzonitrile Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H13N5O2S/c15-8-10-7-11(19(20)21)5-6-12(10)22-14-16-13(17-18-14)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,16,17,18)