N-(3-azanyl-3-sulfanylidene-propyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-azanyl-3-sulfanylidene-propyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide Openeye Name: N-(3-amino-3-thioxo-propyl)-1-methyl-N-(3-pyridylmethyl)pyrazole-4-carboxamide CAS Name: N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-(3-pyridinylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide Traditional Name: N-(3-amino-3-thioxo-propyl)-1-methyl-N-(3-pyridylmethyl)pyrazole-4-carboxamide Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N(CCC(=S)N)CC2=CN=CC=C2

Isomeric SMILES

CN1C=C(C=N1)C(=O)N(CCC(=S)N)CC2=CN=CC=C2

InChI

InChI=1S/C14H17N5OS/c1-18-10-12(8-17-18)14(20)19(6-4-13(15)21)9-11-3-2-5-16-7-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H2,15,21)