S-pyridin-4-yl 1-(phenylmethyl)indole-2-carbothioate

Systemtic Name: S-pyridin-4-yl 1-(phenylmethyl)indole-2-carbothioate Openeye Name: S-(4-pyridyl) 1-benzylindole-2-carbothioate CAS Name: 1-(phenylmethyl)-2-indolecarbothioic acid S-pyridin-4-yl ester IUPAC Name: S-pyridin-4-yl 1-benzylindole-2-carbothioate Traditional Name: 1-benzylindole-2-carbothioic acid S-(4-pyridyl) ester Formula: C21H16N2OS MolecularWeight: 344.42954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)SC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)SC4=CC=NC=C4

InChI

InChI=1S/C21H16N2OS/c24-21(25-18-10-12-22-13-11-18)20-14-17-8-4-5-9-19(17)23(20)15-16-6-2-1-3-7-16/h1-14H,15H2