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

Systemtic Name: 3-(4-ethoxyphenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-ethoxyphenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-ethoxyphenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-ethoxyphenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylthio]-5-p-phenetyl-1,2,4-triazole Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3S/c1-3-9-22-16(13-5-7-15(8-6-13)26-4-2)19-20-17(22)27-12-21-11-14(10-18-21)23(24)25/h3,5-8,10-11H,1,4,9,12H2,2H3