N-[3-[3-cyclopropyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-cyclopropyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-cyclopropyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-cyclopropyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3=CC(=CC=C3)NC(=O)C)C4CC4

InChI

InChI=1S/C21H21N5O3S/c1-13-16(5-3-8-19(13)26(28)29)12-30-21-24-23-20(15-9-10-15)25(21)18-7-4-6-17(11-18)22-14(2)27/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,27)