2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C18H16N6OS2 MolecularWeight: 396.48924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C18H16N6OS2/c19-16-22-23-18(26-11-12-6-2-1-3-7-12)24(16)10-15(25)21-17-20-13-8-4-5-9-14(13)27-17/h1-9H,10-11H2,(H2,19,22)(H,20,21,25)