2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(1-prop-2-ynyl-3-indolyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-prop-2-ynylindol-3-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(1-propargylindol-3-yl)acrylonitrile Formula: C21H13N3S2 MolecularWeight: 371.47802

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H13N3S2/c1-2-11-24-14-15(17-7-3-5-9-19(17)24)12-16(13-22)25-21-23-18-8-4-6-10-20(18)26-21/h1,3-10,12,14H,11H2