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

Systemtic Name: N-(2-methyl-5-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-methyl-5-nitro-phenyl)acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-5-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-methyl-5-nitro-phenyl)acetamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O3S/c1-3-9-24-18(14-5-4-8-20-11-14)22-23-19(24)29-12-17(26)21-16-10-15(25(27)28)7-6-13(16)2/h3-8,10-11H,1,9,12H2,2H3,(H,21,26)