N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)isothiazole-4-carboxamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3,5-bis(methylthio)-4-isothiazolecarboxamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3,5-bis(methylthio)isothiazole-4-carboxamide Formula: C16H15N7OS3 MolecularWeight: 417.5316

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NS1)SC)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CSC1=C(C(=NS1)SC)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H15N7OS3/c1-25-15-13(16(26-2)27-20-15)14(24)18-10-7-17-22(8-10)9-23-12-6-4-3-5-11(12)19-21-23/h3-8H,9H2,1-2H3,(H,18,24)