N-(3-methyl-4-nitro-phenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methyl-4-nitro-phenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-4-nitro-phenyl)acetamide CAS Name: N-(3-methyl-4-nitrophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methyl-4-nitrophenyl)-2-[[4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(3-isopropoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-methyl-4-nitro-phenyl)acetamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c1-13(2)30-17-7-5-6-15(11-17)20-23-24-21(25(20)4)31-12-19(27)22-16-8-9-18(26(28)29)14(3)10-16/h5-11,13H,12H2,1-4H3,(H,22,27)