3-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-[(3-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-[(3-nitrobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C25H21N5O3S2 MolecularWeight: 503.59594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C25H21N5O3S2/c31-25-29(21-11-4-5-12-22(21)35-25)16-23-26-27-24(28(23)14-13-18-7-2-1-3-8-18)34-17-19-9-6-10-20(15-19)30(32)33/h1-12,15H,13-14,16-17H2