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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C19H17N5OS2/c1-2-12-5-8-15-16(9-12)27-19(22-15)23-17(25)14-6-3-13(4-7-14)10-26-18-20-11-21-24-18/h3-9,11H,2,10H2,1H3,(H,20,21,24)(H,22,23,25)