3-cyclohexyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclohexyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1,2,4-triazole CAS Name: 3-cyclohexyl-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclohexyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclohexyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,2,4-triazole Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC=CC2=CC=C(O2)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1S/C=C/C2=CC=C(O2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C17H20N4O3S/c1-2-11-20-16(13-6-4-3-5-7-13)18-19-17(20)25-12-10-14-8-9-15(24-14)21(22)23/h2,8-10,12-13H,1,3-7,11H2/b12-10+