2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-5-nitrobenzonitrile IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-5-nitro-benzonitrile Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3CCCCC3

InChI

InChI=1S/C18H19N5O2S/c1-2-10-22-17(13-6-4-3-5-7-13)20-21-18(22)26-16-9-8-15(23(24)25)11-14(16)12-19/h2,8-9,11,13H,1,3-7,10H2