2-(1-adamantyl)-5-[1-methyl-5-(3-methylphenoxy)indol-2-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(1-adamantyl)-5-[1-methyl-5-(3-methylphenoxy)indol-2-yl]-1,3,4-thiadiazole Openeye Name: 2-(1-adamantyl)-5-[1-methyl-5-(3-methylphenoxy)indol-2-yl]-1,3,4-thiadiazole CAS Name: 2-(1-adamantyl)-5-[1-methyl-5-(3-methylphenoxy)-2-indolyl]-1,3,4-thiadiazole IUPAC Name: 2-(1-adamantyl)-5-[1-methyl-5-(3-methylphenoxy)indol-2-yl]-1,3,4-thiadiazole Traditional Name: 2-(1-adamantyl)-5-[1-methyl-5-(3-methylphenoxy)indol-2-yl]-1,3,4-thiadiazole Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC3=C(C=C2)N(C(=C3)C4=NN=C(S4)C56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC3=C(C=C2)N(C(=C3)C4=NN=C(S4)C56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C28H29N3OS/c1-17-4-3-5-22(8-17)32-23-6-7-24-21(12-23)13-25(31(24)2)26-29-30-27(33-26)28-14-18-9-19(15-28)11-20(10-18)16-28/h3-8,12-13,18-20H,9-11,14-16H2,1-2H3