1-[(4E)-5-azanyl-4-(1,2-thiazol-3-ylidene)pyrazol-3-yl]-3-(pyridin-4-ylmethyl)urea

Systemtic Name: 1-[(4E)-5-azanyl-4-(1,2-thiazol-3-ylidene)pyrazol-3-yl]-3-(pyridin-4-ylmethyl)urea Openeye Name: 1-[(4E)-5-amino-4-isothiazol-3-ylidene-pyrazol-3-yl]-3-(4-pyridylmethyl)urea CAS Name: 1-[(4E)-5-amino-4-(3-isothiazolylidene)-3-pyrazolyl]-3-(pyridin-4-ylmethyl)urea IUPAC Name: 1-[(4E)-5-amino-4-(1,2-thiazol-3-ylidene)pyrazol-3-yl]-3-(pyridin-4-ylmethyl)urea Traditional Name: 1-[(4E)-5-amino-4-(4-isothiazolin-3-ylidene)pyrazol-3-yl]-3-(4-pyridylmethyl)urea Formula: C13H13N7OS MolecularWeight: 315.35362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC(=O)NC2=NN=C(C2=C3C=CSN3)N

Isomeric SMILES

C1=CN=CC=C1CNC(=O)NC\2=NN=C(/C2=C\3/C=CSN3)N

InChI

InChI=1S/C13H13N7OS/c14-11-10(9-3-6-22-20-9)12(19-18-11)17-13(21)16-7-8-1-4-15-5-2-8/h1-6,20H,7H2,(H2,14,18)(H2,16,17,19,21)/b10-9+