2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4,5-dimethylthiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4,5-dimethyl-2-thiazolyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4,5-dimethylthiazol-2-yl)propionamide Formula: C18H22N6OS2 MolecularWeight: 402.53688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H22N6OS2/c1-11-13(3)27-17(20-11)21-15(25)12(2)24-16(19)22-23-18(24)26-10-9-14-7-5-4-6-8-14/h4-8,12H,9-10H2,1-3H3,(H2,19,22)(H,20,21,25)