2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-methyl-1-prop-2-ynyl-indol-3-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-methyl-1-prop-2-ynyl-indol-3-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-methyl-1-prop-2-ynyl-indol-3-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-methyl-1-prop-2-ynyl-3-indolyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-methyl-1-prop-2-ynylindol-3-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(2-methyl-1-propargyl-indol-3-yl)acrylonitrile Formula: C22H15N3S2 MolecularWeight: 385.5046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC#C)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC#C)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H15N3S2/c1-3-12-25-15(2)18(17-8-4-6-10-20(17)25)13-16(14-23)26-22-24-19-9-5-7-11-21(19)27-22/h1,4-11,13H,12H2,2H3