4-(2-methoxyethyl)-3-(3-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(2-methoxyethyl)-3-(3-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole CAS Name: 4-(2-methoxyethyl)-3-(3-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-(2-methoxyethyl)-5-(3-nitrophenyl)-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-25-11-10-21-17(15-8-5-9-16(12-15)22(23)24)19-20-18(21)26-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3