N,N-bis(2-chloroethyl)-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline Openeye Name: N,N-bis(2-chloroethyl)-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline CAS Name: N,N-bis(2-chloroethyl)-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-[(E)-1,2,4-triazol-4-yliminomethyl]aniline Traditional Name: bis(2-chloroethyl)-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl]amine Formula: C13H15Cl2N5 MolecularWeight: 312.1977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN2C=NN=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1/C=N/N2C=NN=C2)N(CCCl)CCCl

InChI

InChI=1S/C13H15Cl2N5/c14-5-7-19(8-6-15)13-3-1-12(2-4-13)9-18-20-10-16-17-11-20/h1-4,9-11H,5-8H2/b18-9+