ethyl N'-[3-(aminomethyl)-4-(4-methylpyrazol-1-yl)phenyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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