3-[(3-nitrophenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(3-nitrophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(3-nitrophenyl)methylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(3-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(3-nitrobenzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C20H16N4O2S2 MolecularWeight: 408.49664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H16N4O2S2/c25-24(26)17-9-4-8-16(12-17)14-28-20-22-21-19(18-10-5-11-27-18)23(20)13-15-6-2-1-3-7-15/h1-12H,13-14H2