3-(1-adamantylmethyl)-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(1-adamantylmethyl)-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-ethyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-4-ethyl-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-4-ethyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-ethyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C26H31N3S MolecularWeight: 417.60944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC3=CC=CC=C32)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H31N3S/c1-2-29-24(16-26-13-18-10-19(14-26)12-20(11-18)15-26)27-28-25(29)30-17-22-8-5-7-21-6-3-4-9-23(21)22/h3-9,18-20H,2,10-17H2,1H3