4-phenethyl-3-propan-2-ylsulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-phenethyl-3-propan-2-ylsulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-isopropylsulfanyl-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-phenethyl-3-(propan-2-ylthio)-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-phenethyl-3-propan-2-ylsulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-(isopropylthio)-4-phenethyl-5-(2-thenyl)-1,2,4-triazole Formula: C18H21N3S2 MolecularWeight: 343.50944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C18H21N3S2/c1-14(2)23-18-20-19-17(13-16-9-6-12-22-16)21(18)11-10-15-7-4-3-5-8-15/h3-9,12,14H,10-11,13H2,1-2H3