2-[(diphenylmethyl)-methyl-amino]sulfanyl-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1-prop-2-enyl-indol-5-yl]ethanenitrile

Systemtic Name: 2-[(diphenylmethyl)-methyl-amino]sulfanyl-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1-prop-2-enyl-indol-5-yl]ethanenitrile Openeye Name: 2-[1-allyl-3-[(1-methylpyrrolidin-2-yl)methyl]indol-5-yl]-2-[benzhydryl(methyl)amino]sulfanyl-acetonitrile CAS Name: 1-cyano-N-(diphenylmethyl)-N-methyl-1-[3-[(1-methyl-2-pyrrolidinyl)methyl]-1-prop-2-enyl-5-indolyl]methanesulfenamide IUPAC Name: 2-[benzhydryl(methyl)amino]sulfanyl-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1-prop-2-enylindol-5-yl]acetonitrile Traditional Name: 2-[1-allyl-3-[(1-methylpyrrolidin-2-yl)methyl]indol-5-yl]-2-[[benzhydryl(methyl)amino]thio]acetonitrile Formula: C33H36N4S MolecularWeight: 520.73074

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CC2=CN(C3=C2C=C(C=C3)C(C#N)SN(C)C(C4=CC=CC=C4)C5=CC=CC=C5)CC=C

Isomeric SMILES

CN1CCCC1CC2=CN(C3=C2C=C(C=C3)C(C#N)SN(C)C(C4=CC=CC=C4)C5=CC=CC=C5)CC=C

InChI

InChI=1S/C33H36N4S/c1-4-19-37-24-28(21-29-16-11-20-35(29)2)30-22-27(17-18-31(30)37)32(23-34)38-36(3)33(25-12-7-5-8-13-25)26-14-9-6-10-15-26/h4-10,12-15,17-18,22,24,29,32-33H,1,11,16,19-21H2,2-3H3