4-[4-[(2-methyl-5-nitro-phenyl)methyl]phenyl]-1,2,3-thiadiazole

Systemtic Name: 4-[4-[(2-methyl-5-nitro-phenyl)methyl]phenyl]-1,2,3-thiadiazole Openeye Name: 4-[4-[(2-methyl-5-nitro-phenyl)methyl]phenyl]thiadiazole CAS Name: 4-[4-[(2-methyl-5-nitrophenyl)methyl]phenyl]thiadiazole IUPAC Name: 4-[4-[(2-methyl-5-nitrophenyl)methyl]phenyl]thiadiazole Traditional Name: 4-[4-(2-methyl-5-nitro-benzyl)phenyl]thiadiazole Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)C3=CSN=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=CC=C(C=C2)C3=CSN=N3

InChI

InChI=1S/C16H13N3O2S/c1-11-2-7-15(19(20)21)9-14(11)8-12-3-5-13(6-4-12)16-10-22-18-17-16/h2-7,9-10H,8H2,1H3