5-(1,3-benzothiazol-2-yl)-4-[(E)-(4-methylpyrrol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-4-[(E)-(4-methylpyrrol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-4-[(E)-(4-methylpyrrol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-(1,3-benzothiazol-2-yl)-4-[(E)-(4-methyl-2-pyrrolylidene)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(1,3-benzothiazol-2-yl)-4-[(E)-(4-methylpyrrol-2-ylidene)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-4-[(E)-(4-methylpyrrol-2-ylidene)methyl]-3-pyrazolin-3-one Formula: C16H12N4OS MolecularWeight: 308.35768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C(NNC2=O)C3=NC4=CC=CC=C4S3)N=C1

Isomeric SMILES

CC1=C/C(=C\C2=C(NNC2=O)C3=NC4=CC=CC=C4S3)/N=C1

InChI

InChI=1S/C16H12N4OS/c1-9-6-10(17-8-9)7-11-14(19-20-15(11)21)16-18-12-4-2-3-5-13(12)22-16/h2-8H,1H3,(H2,19,20,21)/b10-7+