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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H15N5OS2 MolecularWeight: 381.4746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H15N5OS2/c1-11-21-15-7-6-14(8-16(15)26-11)22-17(24)13-4-2-12(3-5-13)9-25-18-19-10-20-23-18/h2-8,10H,9H2,1H3,(H,22,24)(H,19,20,23)