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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H15N5O2S2 MolecularWeight: 397.474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H15N5O2S2/c1-25-13-3-2-4-14-15(13)21-18(27-14)22-16(24)12-7-5-11(6-8-12)9-26-17-19-10-20-23-17/h2-8,10H,9H2,1H3,(H,19,20,23)(H,21,22,24)