1-(2-ethoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(2-ethoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(2-ethoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]tetrazole CAS Name: 1-(2-ethoxyphenyl)-5-[1-(3-nitrophenyl)ethylthio]tetrazole IUPAC Name: 1-(2-ethoxyphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]tetrazole Traditional Name: 5-[1-(3-nitrophenyl)ethylthio]-1-o-phenetyl-tetrazole Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c1-3-25-16-10-5-4-9-15(16)21-17(18-19-20-21)26-12(2)13-7-6-8-14(11-13)22(23)24/h4-12H,3H2,1-2H3