2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C19H18N6OS2 MolecularWeight: 410.51582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C19H18N6OS2/c20-17-23-24-19(27-11-10-13-6-2-1-3-7-13)25(17)12-16(26)22-18-21-14-8-4-5-9-15(14)28-18/h1-9H,10-12H2,(H2,20,23)(H,21,22,26)