N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-4-pyrazol-1-yl-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-4-pyrazol-1-yl-benzamide Formula: C16H15N5O2S2 MolecularWeight: 373.4526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3)SCC(=O)N

InChI

InChI=1S/C16H15N5O2S2/c1-10-15(24-9-13(17)22)25-16(19-10)20-14(23)11-3-5-12(6-4-11)21-8-2-7-18-21/h2-8H,9H2,1H3,(H2,17,22)(H,19,20,23)