(1R,4S)-6-(4-methoxyphenyl)-4-methylsulfanyl-1,3,8-triphenyl-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one

Systemtic Name: (1R,4S)-6-(4-methoxyphenyl)-4-methylsulfanyl-1,3,8-triphenyl-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one Openeye Name: (1R,4S)-6-(4-methoxyphenyl)-4-methylsulfanyl-1,3,8-triphenyl-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one CAS Name: (1R,4S)-6-(4-methoxyphenyl)-4-(methylthio)-1,3,8-triphenyl-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one IUPAC Name: (1R,4S)-6-(4-methoxyphenyl)-4-methylsulfanyl-1,3,8-triphenyl-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one Traditional Name: (1R,4S)-6-(4-methoxyphenyl)-4-(methylthio)-1,3,8-triphenyl-2,7,8-triazaspiro[4.4]nona-2,6-dien-9-one Formula: C32H27N3O2S MolecularWeight: 517.64068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C23C(N=C(C3SC)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C23[C@H](N=C([C@H]3SC)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H27N3O2S/c1-37-26-20-18-24(19-21-26)29-32(31(36)35(34-29)25-16-10-5-11-17-25)28(23-14-8-4-9-15-23)33-27(30(32)38-2)22-12-6-3-7-13-22/h3-21,28,30H,1-2H3/t28-,30-,32?/m1/s1