3-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(3-nitrophenyl)methylthio]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(3-nitrobenzyl)thio]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C22H20N4O2S2/c27-26(28)19-9-4-8-18(14-19)16-30-22-24-23-21(15-20-10-5-13-29-20)25(22)12-11-17-6-2-1-3-7-17/h1-10,13-14H,11-12,15-16H2