2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(phenylmethyl)-3-indolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1-benzylindol-3-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(1-benzylindol-3-yl)acrylonitrile Formula: C25H17N3S2 MolecularWeight: 423.55258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H17N3S2/c26-15-20(29-25-27-22-11-5-7-13-24(22)30-25)14-19-17-28(16-18-8-2-1-3-9-18)23-12-6-4-10-21(19)23/h1-14,17H,16H2