4-azanyl-5-phenyl-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-azanyl-5-phenyl-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,2,4-triazol-3-one CAS Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,2,4-triazol-3-one IUPAC Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,2,4-triazol-3-one Traditional Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,2,4-triazol-3-one Formula: C17H15N7OS MolecularWeight: 365.4123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CC3=NN=C(S3)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)N2N)CC3=NN=C(S3)NC4=CC=CC=C4

InChI

InChI=1S/C17H15N7OS/c18-24-15(12-7-3-1-4-8-12)22-23(17(24)25)11-14-20-21-16(26-14)19-13-9-5-2-6-10-13/h1-10H,11,18H2,(H,19,21)