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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)N)CC2=CC(=C(C(=C2Br)OC)OC)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)N)CC2=CC(=C(C(=C2Br)OC)OC)OC

InChI

InChI=1S/C16H17BrN2O3S/c1-8-10(7-18)16(19)23-12(8)6-9-5-11(20-2)14(21-3)15(22-4)13(9)17/h5H,6,19H2,1-4H3