N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Formula: C19H15N7OS2 MolecularWeight: 421.4987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H15N7OS2/c1-11-8-15(23-22-11)18(27)20-12-6-7-14-17(9-12)29-19(21-14)28-10-26-16-5-3-2-4-13(16)24-25-26/h2-9H,10H2,1H3,(H,20,27)(H,22,23)