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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N)Cl

InChI

InChI=1S/C18H18ClN5OS/c1-12-7-8-14(9-15(12)19)21-16(25)10-24-17(20)22-23-18(24)26-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,20,22)(H,21,25)