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

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-isopropylphenyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitropyrazol-1-yl)methylthio]-5-p-cumenyl-1,2,4-triazole Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O2S/c1-4-9-23-17(15-7-5-14(6-8-15)13(2)3)20-21-18(23)27-12-22-11-16(10-19-22)24(25)26/h4-8,10-11,13H,1,9,12H2,2-3H3