N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[1-[5-[(3-methoxyphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[1-[5-(m-anisylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC(=CC=C3)OC)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC(=CC=C3)OC)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N5O4S2/c1-15(24-22(29)20-7-4-12-33-20)21-25-26-23(34-14-16-5-3-6-19(13-16)32-2)27(21)17-8-10-18(11-9-17)28(30)31/h3-13,15H,14H2,1-2H3,(H,24,29)