3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenethyl-1,2,4-triazole CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylthio]-5-phenethyl-1,2,4-triazole Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C17H18N6O2S/c1-2-10-22-16(9-8-14-6-4-3-5-7-14)19-20-17(22)26-13-21-12-15(11-18-21)23(24)25/h2-7,11-12H,1,8-10,13H2