N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H15N5O3S3 MolecularWeight: 445.5384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H15N5O3S3/c1-29(25,26)13-6-7-14-15(8-13)28-18(21-14)22-16(24)12-4-2-11(3-5-12)9-27-17-19-10-20-23-17/h2-8,10H,9H2,1H3,(H,19,20,23)(H,21,22,24)