1-cyano-3-[2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]ethyl]-2-(3-oxidanylpropyl)guanidine

Systemtic Name: 1-cyano-3-[2-[[5-methyl-1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]ethyl]-2-(3-oxidanylpropyl)guanidine Openeye Name: 1-cyano-2-(3-hydroxypropyl)-3-[2-[(5-methyl-1-trityl-imidazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: 1-cyano-2-(3-hydroxypropyl)-3-[2-[[5-methyl-1-(triphenylmethyl)-4-imidazolyl]methylthio]ethyl]guanidine IUPAC Name: 1-cyano-2-(3-hydroxypropyl)-3-[2-[(5-methyl-1-tritylimidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: 1-cyano-2-(3-hydroxypropyl)-3-[2-[(5-methyl-1-trityl-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C31H34N6OS MolecularWeight: 538.70626

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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)CSCCNC(=NCCCO)NC#N

Isomeric SMILES

CC1=C(N=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CSCCNC(=NCCCO)NC#N

InChI

InChI=1S/C31H34N6OS/c1-25-29(22-39-21-19-34-30(35-23-32)33-18-11-20-38)36-24-37(25)31(26-12-5-2-6-13-26,27-14-7-3-8-15-27)28-16-9-4-10-17-28/h2-10,12-17,24,38H,11,18-22H2,1H3,(H2,33,34,35)