2-(4-isothiocyanato-2,5-dimethyl-phenyl)-1-benzothiophene

Systemtic Name: 2-(4-isothiocyanato-2,5-dimethyl-phenyl)-1-benzothiophene Openeye Name: 2-(4-isothiocyanato-2,5-dimethyl-phenyl)benzothiophene CAS Name: 2-(4-isothiocyanato-2,5-dimethylphenyl)-1-benzothiophene IUPAC Name: 2-(4-isothiocyanato-2,5-dimethylphenyl)-1-benzothiophene Traditional Name: 2-(4-isothiocyanato-2,5-dimethyl-phenyl)benzothiophene Formula: C17H13NS2 MolecularWeight: 295.42182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C)N=C=S

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C)N=C=S

InChI

InChI=1S/C17H13NS2/c1-11-8-15(18-10-19)12(2)7-14(11)17-9-13-5-3-4-6-16(13)20-17/h3-9H,1-2H3