6-hexyl-3-[5-[(4-methylphenyl)amino]-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione

Systemtic Name: 6-hexyl-3-[5-[(4-methylphenyl)amino]-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione Openeye Name: 6-hexyl-3-[5-(4-methylanilino)-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione CAS Name: 6-hexyl-3-[5-(4-methylanilino)-3H-1,3,4-thiadiazol-2-ylidene]-1-benzopyran-2,7-dione IUPAC Name: 6-hexyl-3-[5-(4-methylanilino)-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione Traditional Name: 6-hexyl-3-[5-(p-toluidino)-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-quinone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C3NN=C(S3)NC4=CC=C(C=C4)C)C(=O)OC2=CC1=O

Isomeric SMILES

CCCCCCC1=CC2=CC(=C3NN=C(S3)NC4=CC=C(C=C4)C)C(=O)OC2=CC1=O

InChI

InChI=1S/C24H25N3O3S/c1-3-4-5-6-7-16-12-17-13-19(23(29)30-21(17)14-20(16)28)22-26-27-24(31-22)25-18-10-8-15(2)9-11-18/h8-14,26H,3-7H2,1-2H3,(H,25,27)