2-decyl-5-[8-(2-methylbutoxy)-9,10-dihydrophenanthren-2-yl]-1,3,4-thiadiazole

Systemtic Name: 2-decyl-5-[8-(2-methylbutoxy)-9,10-dihydrophenanthren-2-yl]-1,3,4-thiadiazole Openeye Name: 2-decyl-5-[8-(2-methylbutoxy)-9,10-dihydrophenanthren-2-yl]-1,3,4-thiadiazole CAS Name: 2-decyl-5-[8-(2-methylbutoxy)-9,10-dihydrophenanthren-2-yl]-1,3,4-thiadiazole IUPAC Name: 2-decyl-5-[8-(2-methylbutoxy)-9,10-dihydrophenanthren-2-yl]-1,3,4-thiadiazole Traditional Name: 2-decyl-5-[8-(2-methylbutoxy)-9,10-dihydrophenanthren-2-yl]-1,3,4-thiadiazole Formula: C31H42N2OS MolecularWeight: 490.74298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(S1)C2=CC3=C(C=C2)C4=C(CC3)C(=CC=C4)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=NN=C(S1)C2=CC3=C(C=C2)C4=C(CC3)C(=CC=C4)OCC(C)CC

InChI

InChI=1S/C31H42N2OS/c1-4-6-7-8-9-10-11-12-16-30-32-33-31(35-30)25-18-19-26-24(21-25)17-20-28-27(26)14-13-15-29(28)34-22-23(3)5-2/h13-15,18-19,21,23H,4-12,16-17,20,22H2,1-3H3