3-(3,7-dithiophen-2-yl-4H-1,2-diazepin-5-yl)-1-methyl-indole

Systemtic Name: 3-(3,7-dithiophen-2-yl-4H-1,2-diazepin-5-yl)-1-methyl-indole Openeye Name: 3-[3,7-bis(2-thienyl)-4H-diazepin-5-yl]-1-methyl-indole CAS Name: 3-(3,7-dithiophen-2-yl-4H-diazepin-5-yl)-1-methylindole IUPAC Name: 3-(3,7-dithiophen-2-yl-4H-diazepin-5-yl)-1-methylindole Traditional Name: 3-[3,7-bis(2-thienyl)-4H-diazepin-5-yl]-1-methyl-indole Formula: C22H17N3S2 MolecularWeight: 387.52048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=CC(=NN=C(C3)C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=CC(=NN=C(C3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C22H17N3S2/c1-25-14-17(16-6-2-3-7-20(16)25)15-12-18(21-8-4-10-26-21)23-24-19(13-15)22-9-5-11-27-22/h2-12,14H,13H2,1H3