6-nitro-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 6-nitro-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 6-nitro-2-[(4-propan-2-ylphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 6-nitro-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4-isopropylbenzyl)thio]-6-nitro-1,3-benzothiazole Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O2S2/c1-11(2)13-5-3-12(4-6-13)10-22-17-18-15-8-7-14(19(20)21)9-16(15)23-17/h3-9,11H,10H2,1-2H3