3-azanyl-1-(1,3-benzothiazol-2-yl)-6-methyl-5-[(3-methylphenyl)methyl]pyrano[2,3-c]pyrazol-4-one

Systemtic Name: 3-azanyl-1-(1,3-benzothiazol-2-yl)-6-methyl-5-[(3-methylphenyl)methyl]pyrano[2,3-c]pyrazol-4-one Openeye Name: 3-amino-1-(1,3-benzothiazol-2-yl)-6-methyl-5-(m-tolylmethyl)pyrano[2,3-c]pyrazol-4-one CAS Name: 3-amino-1-(1,3-benzothiazol-2-yl)-6-methyl-5-[(3-methylphenyl)methyl]-4-pyrano[2,3-c]pyrazolone IUPAC Name: 3-amino-1-(1,3-benzothiazol-2-yl)-6-methyl-5-[(3-methylphenyl)methyl]pyrano[2,3-c]pyrazol-4-one Traditional Name: 3-amino-1-(1,3-benzothiazol-2-yl)-6-methyl-5-(3-methylbenzyl)pyrano[2,3-c]pyrazol-4-one Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(OC3=C(C2=O)C(=NN3C4=NC5=CC=CC=C5S4)N)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(OC3=C(C2=O)C(=NN3C4=NC5=CC=CC=C5S4)N)C

InChI

InChI=1S/C22H18N4O2S/c1-12-6-5-7-14(10-12)11-15-13(2)28-21-18(19(15)27)20(23)25-26(21)22-24-16-8-3-4-9-17(16)29-22/h3-10H,11H2,1-2H3,(H2,23,25)