N-(3-chloranyl-2-methyl-phenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[(1-methyltetrazol-5-yl)thio]butyramide Formula: C13H16ClN5OS MolecularWeight: 325.81704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCCSC2=NN=NN2C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCCSC2=NN=NN2C

InChI

InChI=1S/C13H16ClN5OS/c1-9-10(14)5-3-6-11(9)15-12(20)7-4-8-21-13-16-17-18-19(13)2/h3,5-6H,4,7-8H2,1-2H3,(H,15,20)