4-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(phenylmethyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(E)-cinnamyl]sulfanyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(phenylmethyl)-3-[[(E)-3-phenylprop-2-enyl]thio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[[(E)-cinnamyl]thio]-5-(2-thienyl)-1,2,4-triazole Formula: C22H19N3S2 MolecularWeight: 389.53636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC/C=C/C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H19N3S2/c1-3-9-18(10-4-1)13-7-16-27-22-24-23-21(20-14-8-15-26-20)25(22)17-19-11-5-2-6-12-19/h1-15H,16-17H2/b13-7+