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

Systemtic Name: 4-azanyl-5-methyl-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-methyl-1,2,4-triazol-3-one CAS Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-1,2,4-triazol-3-one IUPAC Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-1,2,4-triazol-3-one Traditional Name: 4-amino-2-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-1,2,4-triazol-3-one Formula: C12H13N7OS MolecularWeight: 303.34292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1N)CC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)N1N)CC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C12H13N7OS/c1-8-17-18(12(20)19(8)13)7-10-15-16-11(21-10)14-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,14,16)