3,7,8-trimethyl-3-(3-nitrophenyl)-1,5-dihydro-2,4-benzodithiepine

Systemtic Name: 3,7,8-trimethyl-3-(3-nitrophenyl)-1,5-dihydro-2,4-benzodithiepine Openeye Name: 3,7,8-trimethyl-3-(3-nitrophenyl)-1,5-dihydro-2,4-benzodithiepine CAS Name: 3,7,8-trimethyl-3-(3-nitrophenyl)-1,5-dihydro-2,4-benzodithiepin IUPAC Name: 3,7,8-trimethyl-3-(3-nitrophenyl)-1,5-dihydro-2,4-benzodithiepine Traditional Name: 3,7,8-trimethyl-3-(3-nitrophenyl)-1,5-dihydro-2,4-benzodithiepin Formula: C18H19NO2S2 MolecularWeight: 345.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)(C)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)(C)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H19NO2S2/c1-12-7-14-10-22-18(3,23-11-15(14)8-13(12)2)16-5-4-6-17(9-16)19(20)21/h4-9H,10-11H2,1-3H3