5-methoxy-1-(phenylmethyl)-3-propan-2-ylsulfanyl-N-(2H-1,2,3,4-tetrazol-5-yl)indole-2-carboxamide

Systemtic Name: 5-methoxy-1-(phenylmethyl)-3-propan-2-ylsulfanyl-N-(2H-1,2,3,4-tetrazol-5-yl)indole-2-carboxamide Openeye Name: 1-benzyl-3-isopropylsulfanyl-5-methoxy-N-(2H-tetrazol-5-yl)indole-2-carboxamide CAS Name: 5-methoxy-1-(phenylmethyl)-3-(propan-2-ylthio)-N-(2H-tetrazol-5-yl)-2-indolecarboxamide IUPAC Name: 1-benzyl-5-methoxy-3-propan-2-ylsulfanyl-N-(2H-tetrazol-5-yl)indole-2-carboxamide Traditional Name: 1-benzyl-3-(isopropylthio)-5-methoxy-N-(2H-tetrazol-5-yl)indole-2-carboxamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C(=O)NC4=NNN=N4

Isomeric SMILES

CC(C)SC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C(=O)NC4=NNN=N4

InChI

InChI=1S/C21H22N6O2S/c1-13(2)30-19-16-11-15(29-3)9-10-17(16)27(12-14-7-5-4-6-8-14)18(19)20(28)22-21-23-25-26-24-21/h4-11,13H,12H2,1-3H3,(H2,22,23,24,25,26,28)