3-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[1-(3-nitrophenyl)ethylthio]-4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[1-(3-nitrophenyl)ethylthio]-4-phenyl-5-(2-thenyl)-1,2,4-triazole Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H18N4O2S2/c1-15(16-7-5-10-18(13-16)25(26)27)29-21-23-22-20(14-19-11-6-12-28-19)24(21)17-8-3-2-4-9-17/h2-13,15H,14H2,1H3