5-butyl-3-(triphenylmethyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-butyl-3-(triphenylmethyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-butyl-3-tritylsulfanyl-1H-1,2,4-triazole CAS Name: 5-butyl-3-[(triphenylmethyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-butyl-3-tritylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-butyl-3-(tritylthio)-1H-1,2,4-triazole Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3S/c1-2-3-19-23-26-24(28-27-23)29-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,2-3,19H2,1H3,(H,26,27,28)