[4-(sulfanylmethyl)triphenylen-1-yl]methanethiol

Systemtic Name: [4-(sulfanylmethyl)triphenylen-1-yl]methanethiol Openeye Name: [4-(sulfanylmethyl)triphenylen-1-yl]methanethiol CAS Name: [4-(mercaptomethyl)-1-triphenylenyl]methanethiol IUPAC Name: [4-(sulfanylmethyl)triphenylen-1-yl]methanethiol Traditional Name: [4-(mercaptomethyl)triphenylen-1-yl]methanethiol Formula: C20H16S2 MolecularWeight: 320.47104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C(C=CC(=C24)CS)CS

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C(C=CC(=C24)CS)CS

InChI

InChI=1S/C20H16S2/c21-11-13-9-10-14(12-22)20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(13)20/h1-10,21-22H,11-12H2