N-methoxy-5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: N-methoxy-5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Openeye Name: 4-isopropyl-N-methoxy-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide CAS Name: N-methoxy-5-(phenylthio)-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxamide IUPAC Name: N-methoxy-5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Traditional Name: 4-isopropyl-N-methoxy-5-(phenylthio)-1-(4-pyridylmethyl)pyrrole-3-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C=C1C(=O)NOC)CC2=CC=NC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(C=C1C(=O)NOC)CC2=CC=NC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15(2)19-18(20(25)23-26-3)14-24(13-16-9-11-22-12-10-16)21(19)27-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,23,25)