2-[1-(4-methoxyphenyl)-4-propan-2-yl-pyrrol-3-yl]sulfanylethanethiol

Systemtic Name: 2-[1-(4-methoxyphenyl)-4-propan-2-yl-pyrrol-3-yl]sulfanylethanethiol Openeye Name: 2-[4-isopropyl-1-(4-methoxyphenyl)pyrrol-3-yl]sulfanylethanethiol CAS Name: 2-[[1-(4-methoxyphenyl)-4-propan-2-yl-3-pyrrolyl]thio]ethanethiol IUPAC Name: 2-[1-(4-methoxyphenyl)-4-propan-2-ylpyrrol-3-yl]sulfanylethanethiol Traditional Name: 2-[[4-isopropyl-1-(4-methoxyphenyl)pyrrol-3-yl]thio]ethanethiol Formula: C16H21NOS2 MolecularWeight: 307.47404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN(C=C1SCCS)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C1=CN(C=C1SCCS)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21NOS2/c1-12(2)15-10-17(11-16(15)20-9-8-19)13-4-6-14(18-3)7-5-13/h4-7,10-12,19H,8-9H2,1-3H3