2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-naphthalen-2-yl-propanamide

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-naphthalen-2-yl-propanamide Openeye Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-naphthyl)propanamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-N-(2-naphthalenyl)propanamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-2-ylpropanamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]-N-(2-naphthyl)propionamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H21N5OS/c1-14-8-11-20(12-15(14)2)27-22(24-25-26-27)29-16(3)21(28)23-19-10-9-17-6-4-5-7-18(17)13-19/h4-13,16H,1-3H3,(H,23,28)