[4-phenyl-5-phenylsulfanyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate

Systemtic Name: [4-phenyl-5-phenylsulfanyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Openeye Name: [4-phenyl-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl carbamate CAS Name: carbamic acid [4-phenyl-5-(phenylthio)-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl ester IUPAC Name: [4-phenyl-5-phenylsulfanyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Traditional Name: carbamic acid [4-phenyl-5-(phenylthio)-1-(4-pyridylmethyl)pyrrol-3-yl]methyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C=C2COC(=O)N)CC3=CC=NC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C=C2COC(=O)N)CC3=CC=NC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c25-24(28)29-17-20-16-27(15-18-11-13-26-14-12-18)23(30-21-9-5-2-6-10-21)22(20)19-7-3-1-4-8-19/h1-14,16H,15,17H2,(H2,25,28)