3-(1-adamantylmethylsulfanyl)-4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethylsulfanyl)-4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-(1-adamantylmethylsulfanyl)-4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-(1-adamantylmethylthio)-4-(2,4-dimethylphenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethylsulfanyl)-4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-(1-adamantylmethylthio)-4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C32H35N3S MolecularWeight: 493.7054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC34CC5CC(C3)CC(C5)C4)CC6=CC=CC7=CC=CC=C76)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC34CC5CC(C3)CC(C5)C4)CC6=CC=CC7=CC=CC=C76)C

InChI

InChI=1S/C32H35N3S/c1-21-10-11-29(22(2)12-21)35-30(16-27-8-5-7-26-6-3-4-9-28(26)27)33-34-31(35)36-20-32-17-23-13-24(18-32)15-25(14-23)19-32/h3-12,23-25H,13-20H2,1-2H3