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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(1-naphthylmethyl)indol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(1-naphthalenylmethyl)-3-indolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(1-naphthylmethyl)indol-3-yl]acrylonitrile Formula: C29H19N3S2 MolecularWeight: 473.61126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C4=CC=CC=C43)C=C(C#N)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C4=CC=CC=C43)C=C(C#N)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H19N3S2/c30-17-23(33-29-31-26-13-4-6-15-28(26)34-29)16-22-19-32(27-14-5-3-12-25(22)27)18-21-10-7-9-20-8-1-2-11-24(20)21/h1-16,19H,18H2