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

Systemtic Name: 4-(2,4-dimethylphenyl)-3-(naphthalen-1-ylmethyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Openeye Name: 4-(2,4-dimethylphenyl)-3-(1-naphthylmethyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole CAS Name: 4-(2,4-dimethylphenyl)-3-(1-naphthalenylmethyl)-5-(3-phenylpropylthio)-1,2,4-triazole IUPAC Name: 4-(2,4-dimethylphenyl)-3-(naphthalen-1-ylmethyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Traditional Name: 4-(2,4-dimethylphenyl)-3-(1-naphthylmethyl)-5-(3-phenylpropylthio)-1,2,4-triazole Formula: C30H29N3S MolecularWeight: 463.63636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C30H29N3S/c1-22-17-18-28(23(2)20-22)33-29(21-26-15-8-14-25-13-6-7-16-27(25)26)31-32-30(33)34-19-9-12-24-10-4-3-5-11-24/h3-8,10-11,13-18,20H,9,12,19,21H2,1-2H3