S-[4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[4-(2,4-dimethylphenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl] ester IUPAC Name: S-[4-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[4-(2,4-dimethylphenyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl] ester Formula: C30H27N3O3S MolecularWeight: 509.61868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SC(=O)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SC(=O)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C30H27N3O3S/c1-19-12-14-25(20(2)16-19)33-28(18-22-10-7-9-21-8-5-6-11-24(21)22)31-32-30(33)37-29(34)23-13-15-26(35-3)27(17-23)36-4/h5-17H,18H2,1-4H3