1-[[5-(2-azanyl-5-phenyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(2-azanyl-5-phenyl-thiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-allyl-5-(2-amino-5-phenyl-3-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(2-amino-5-phenyl-3-thiophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(2-amino-5-phenylthiophen-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-allyl-5-(2-amino-5-phenyl-3-thienyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC=C)C2=C(SC(=C2)C3=CC=CC=C3)N

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC=C)C2=C(SC(=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C18H18N4OS2/c1-3-9-22-17(20-21-18(22)24-11-12(2)23)14-10-15(25-16(14)19)13-7-5-4-6-8-13/h3-8,10H,1,9,11,19H2,2H3