ethyl N'-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]carbamimidothioate

Systemtic Name: ethyl N'-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]carbamimidothioate Openeye Name: 3-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]-2-ethyl-isothiourea CAS Name: N'-[3-(aminomethyl)-2-methyl-4-(1-pyrazolyl)phenyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[3-(aminomethyl)-2-methyl-4-pyrazol-1-ylphenyl]carbamimidothioate Traditional Name: 3-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]-2-ethyl-isothiourea Formula: C14H19N5S MolecularWeight: 289.39916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=C(C(=C(C=C1)N2C=CC=N2)CN)C)N

Isomeric SMILES

CCSC(=NC1=C(C(=C(C=C1)N2C=CC=N2)CN)C)N

InChI

InChI=1S/C14H19N5S/c1-3-20-14(16)18-12-5-6-13(11(9-15)10(12)2)19-8-4-7-17-19/h4-8H,3,9,15H2,1-2H3,(H2,16,18)