methyl N-cyano-N'-[2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]ethyl]carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1-trityl-imidazol-4-yl)methylsulfanyl]ethyl]isothiourea CAS Name: N-cyano-N'-[2-[[5-methyl-1-(triphenylmethyl)-4-imidazolyl]methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[2-[(5-methyl-1-tritylimidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1-trityl-imidazol-4-yl)methylthio]ethyl]isothiourea Formula: C29H29N5S2 MolecularWeight: 511.70406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CSCCN=C(NC#N)SC

Isomeric SMILES

CC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CSCCN=C(NC#N)SC

InChI

InChI=1S/C29H29N5S2/c1-23-27(20-36-19-18-31-28(35-2)32-21-30)33-22-34(23)29(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,22H,18-20H2,1-2H3,(H,31,32)