2-(1,3-benzothiazol-2-yl)-4-[(E)-2-[(phenylmethyl)amino]ethenyl]-5-propyl-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-2-[(phenylmethyl)amino]ethenyl]-5-propyl-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-2-(benzylamino)vinyl]-5-propyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-2-[(phenylmethyl)amino]ethenyl]-5-propyl-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-2-(benzylamino)ethenyl]-5-propyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-2-(benzylamino)vinyl]-5-propyl-3-pyrazolin-3-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=CNCC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)/C=C/NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-2-8-18-17(13-14-23-15-16-9-4-3-5-10-16)21(27)26(25-18)22-24-19-11-6-7-12-20(19)28-22/h3-7,9-14,23,25H,2,8,15H2,1H3/b14-13+