2-[[4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(5-allylsulfanyl-4-benzyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-(phenylmethyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4-benzyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[5-(allylthio)-4-benzyl-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C20H18N4S3 MolecularWeight: 410.57872

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1CC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCSC1=NN=C(N1CC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4S3/c1-2-12-25-19-23-22-18(24(19)13-15-8-4-3-5-9-15)14-26-20-21-16-10-6-7-11-17(16)27-20/h2-11H,1,12-14H2