2-[4-[2-(2-bromanyl-3,4,5-trimethoxy-phenyl)ethyl]-3-cyano-thiophen-2-yl]guanidine

Systemtic Name: 2-[4-[2-(2-bromanyl-3,4,5-trimethoxy-phenyl)ethyl]-3-cyano-thiophen-2-yl]guanidine Openeye Name: 2-[4-[2-(2-bromo-3,4,5-trimethoxy-phenyl)ethyl]-3-cyano-2-thienyl]guanidine CAS Name: 2-[4-[2-(2-bromo-3,4,5-trimethoxyphenyl)ethyl]-3-cyano-2-thiophenyl]guanidine IUPAC Name: 2-[4-[2-(2-bromo-3,4,5-trimethoxyphenyl)ethyl]-3-cyanothiophen-2-yl]guanidine Traditional Name: 2-[4-[2-(2-bromo-3,4,5-trimethoxy-phenyl)ethyl]-3-cyano-2-thienyl]guanidine Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O3S/c1-23-12-6-9(13(18)15(25-3)14(12)24-2)4-5-10-8-26-16(11(10)7-19)22-17(20)21/h6,8H,4-5H2,1-3H3,(H4,20,21,22)