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

Systemtic Name: 3-(1-adamantylmethyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 3-(1-adamantylmethyl)-4-allyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(1-adamantylmethyl)-5-(1-naphthalenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(1-adamantylmethyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 3-(1-adamantylmethyl)-4-allyl-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C27H31N3S MolecularWeight: 429.62014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3S/c1-2-10-30-25(17-27-14-19-11-20(15-27)13-21(12-19)16-27)28-29-26(30)31-18-23-8-5-7-22-6-3-4-9-24(22)23/h2-9,19-21H,1,10-18H2