2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C19H19N5O3S2/c1-12-4-2-6-15(24(26)27)18(12)20-17(25)11-29-19-22-21-16(23(19)13-7-8-13)10-14-5-3-9-28-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,25)