5-(4-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-thiadiazole

Systemtic Name: 5-(4-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-thiadiazole Openeye Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-5-(p-tolyl)-2,3-dihydro-1,3,4-thiadiazole CAS Name: 5-(4-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-thiadiazole IUPAC Name: 5-(4-methylphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-thiadiazole Traditional Name: 2-(6-nitro-1,3-benzodioxol-5-yl)-5-(p-tolyl)-2,3-dihydro-1,3,4-thiadiazole Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(S2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(S2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C16H13N3O4S/c1-9-2-4-10(5-3-9)15-17-18-16(24-15)11-6-13-14(23-8-22-13)7-12(11)19(20)21/h2-7,16,18H,8H2,1H3