3-[[5-(aminomethyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 3-[[5-(aminomethyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 3-[[5-(aminomethyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 3-[[5-(aminomethyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 3-[[5-(aminomethyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 3-[[5-(aminomethyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C3=CC=CC=C3)CN

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)C3=CC=CC=C3)CN

InChI

InChI=1S/C20H22N4O2S/c1-2-26-17-10-8-16(9-11-17)24-19(14-21)22-23-20(24)27-13-12-18(25)15-6-4-3-5-7-15/h3-11H,2,12-14,21H2,1H3