3-(3,4-dimethoxyphenyl)-5-(diphenylmethyl)sulfanyl-4-(3-methoxypropyl)-1,2,4-triazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(diphenylmethyl)sulfanyl-4-(3-methoxypropyl)-1,2,4-triazole Openeye Name: 3-benzhydrylsulfanyl-5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(diphenylmethyl)thio]-4-(3-methoxypropyl)-1,2,4-triazole IUPAC Name: 3-benzhydrylsulfanyl-5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazole Traditional Name: 3-(benzhydrylthio)-5-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazole Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COCCCN1C(=NN=C1SC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N3O3S/c1-31-18-10-17-30-26(22-15-16-23(32-2)24(19-22)33-3)28-29-27(30)34-25(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-16,19,25H,10,17-18H2,1-3H3