3-[(Z)-[5-(4-tert-butylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]methyl]isoindol-1-one

Systemtic Name: 3-[(Z)-[5-(4-tert-butylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]methyl]isoindol-1-one Openeye Name: 3-[(Z)-[5-(4-tert-butylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]methyl]isoindol-1-one CAS Name: 3-[(Z)-[5-(4-tert-butylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]methyl]-1-isoindolone IUPAC Name: 3-[(Z)-[5-(4-tert-butylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]methyl]isoindol-1-one Traditional Name: 3-[(Z)-[5-(4-tert-butylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]methyl]isoindol-1-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=CC3=NC(=O)C4=CC=CC=C43)S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN/C(=C/C3=NC(=O)C4=CC=CC=C43)/S2

InChI

InChI=1S/C21H19N3OS/c1-21(2,3)14-10-8-13(9-11-14)20-24-23-18(26-20)12-17-15-6-4-5-7-16(15)19(25)22-17/h4-12,23H,1-3H3/b18-12-