2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C19H17N5O2S3 MolecularWeight: 443.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N5O2S3/c1-2-23-17(12-28-19-20-15-5-3-4-6-16(15)29-19)21-22-18(23)27-11-13-7-9-14(10-8-13)24(25)26/h3-10H,2,11-12H2,1H3