N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-5-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-5-methylsulfonylthiophene-2-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-5-mesyl-thiophene-2-carboxamide Formula: C20H15N5O3S4 MolecularWeight: 501.6248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H15N5O3S4/c1-32(27,28)18-9-8-16(30-18)19(26)21-12-6-7-14-17(10-12)31-20(22-14)29-11-25-15-5-3-2-4-13(15)23-24-25/h2-10H,11H2,1H3,(H,21,26)