2-azanyl-4-[2-(2-bromanyl-3,4,5-trimethoxy-phenyl)ethyl]thiophene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2-(2-bromanyl-3,4,5-trimethoxy-phenyl)ethyl]thiophene-3-carbonitrile Openeye Name: 2-amino-4-[2-(2-bromo-3,4,5-trimethoxy-phenyl)ethyl]thiophene-3-carbonitrile CAS Name: 2-amino-4-[2-(2-bromo-3,4,5-trimethoxyphenyl)ethyl]-3-thiophenecarbonitrile IUPAC Name: 2-amino-4-[2-(2-bromo-3,4,5-trimethoxyphenyl)ethyl]thiophene-3-carbonitrile Traditional Name: 2-amino-4-[2-(2-bromo-3,4,5-trimethoxy-phenyl)ethyl]thiophene-3-carbonitrile Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CCC2=CSC(=C2C#N)N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CCC2=CSC(=C2C#N)N)Br)OC)OC

InChI

InChI=1S/C16H17BrN2O3S/c1-20-12-6-9(13(17)15(22-3)14(12)21-2)4-5-10-8-23-16(19)11(10)7-18/h6,8H,4-5,19H2,1-3H3