11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine

Systemtic Name: 11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine Openeye Name: 11-(1-methyltetrahydrothiopyran-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine CAS Name: 11-(1-methyl-4-thian-1-iumylidene)-6H-benzo[c][1]benzothiepin IUPAC Name: 11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine Traditional Name: 11-(1-methyltetrahydrothiopyran-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepin Formula: C20H21S2+ MolecularWeight: 325.51074

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CCC(=C2C3=CC=CC=C3CSC4=CC=CC=C42)CC1

Isomeric SMILES

C[S+]1CCC(=C2C3=CC=CC=C3CSC4=CC=CC=C42)CC1

InChI

InChI=1S/C20H21S2/c1-22-12-10-15(11-13-22)20-17-7-3-2-6-16(17)14-21-19-9-5-4-8-18(19)20/h2-9H,10-14H2,1H3/q+1