(Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylonitrile Formula: C28H22N4S2 MolecularWeight: 478.63108

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4S2/c1-2-16-33-24-14-12-20(13-15-24)27-22(19-32(31-27)23-8-4-3-5-9-23)17-21(18-29)28-30-25-10-6-7-11-26(25)34-28/h3-15,17,19H,2,16H2,1H3/b21-17-