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

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-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=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

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

InChI

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