N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethyl-6-nitro-phenyl)acetamide CAS Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethyl-6-nitro-phenyl)acetamide Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)C

InChI

InChI=1S/C20H20N6O3S/c1-4-8-25-19(15-6-5-7-21-11-15)23-24-20(25)30-12-17(27)22-18-14(3)9-13(2)10-16(18)26(28)29/h4-7,9-11H,1,8,12H2,2-3H3,(H,22,27)